Anti-pain drug nv1 #225 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Icatibant
5HT1B_HUMAN

Docking Scores:
-8.12 -8.40 -1.53
Similarity Score:
43.54%
Best Match:
CHEMBL72062

L: Nefazodone
5HT1B_HUMAN

Docking Scores:
-9.48 -9.44 -9.33
Similarity Score:
42.93%
Best Match:
CHEMBL426317

L: Balsalazide
5HT1B_HUMAN

Docking Scores:
-9.53 -9.14 -9.50
Similarity Score:
35.22%
Best Match:
CHEMBL347570

L: Alfentanil
5HT1B_HUMAN

Docking Scores:
-7.92 -8.19 -8.21
Similarity Score:
38.51%
Best Match:
CHEMBL148110

L: Carbamoylcholine
5HT1B_HUMAN

Docking Scores:
-4.52 -4.60 -4.63
Similarity Score:
31.82%
Best Match:
CHEMBL138958

L: Icatibant
5HT2A_HUMAN

Docking Scores:
10.51 ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
5HT2A_HUMAN

Docking Scores:
-10.28 -10.03
Similarity Score:
100.00%
Best Match:
CHEMBL623

L: Balsalazide
5HT2A_HUMAN

Docking Scores:
-9.16 -9.40
Similarity Score:
40.00%
Best Match:
CHEMBL3597649

L: Alfentanil
5HT2A_HUMAN

Docking Scores:
-8.30 -7.10
Similarity Score:
43.15%
Best Match:
CHEMBL4066435

L: Carbamoylcholine
5HT2A_HUMAN

Docking Scores:
-4.36 -4.47
Similarity Score:
36.54%
Best Match:
CHEMBL1123

L: Icatibant
5HT2B_HUMAN

Docking Scores:
-5.50 -10.72 6.53
Similarity Score:
44.33%
Best Match:
CHEMBL2337496

L: Nefazodone
5HT2B_HUMAN

Docking Scores:
-9.27 -9.83 -10.00
Similarity Score:
51.98%
Best Match:
CHEMBL621

L: Balsalazide
5HT2B_HUMAN

Docking Scores:
-9.11 -9.33 -10.11
Similarity Score:
40.77%
Best Match:
CHEMBL473391

L: Alfentanil
5HT2B_HUMAN

Docking Scores:
-8.27 -7.80 -8.56
Similarity Score:
38.29%
Best Match:
CHEMBL1729

L: Carbamoylcholine
5HT2B_HUMAN

Docking Scores:
-4.52 -4.23 -4.27
Similarity Score:
36.54%
Best Match:
CHEMBL1123

L: Icatibant
5HT2C_HUMAN

Docking Scores:
-7.78 -6.15
Similarity Score:
45.16%
Best Match:
CHEMBL2397891

L: Nefazodone
5HT2C_HUMAN

Docking Scores:
-9.60 -10.28
Similarity Score:
51.98%
Best Match:
CHEMBL621

L: Balsalazide
5HT2C_HUMAN

Docking Scores:
-9.13 -9.02
Similarity Score:
39.72%
Best Match:
CHEMBL3597636

L: Alfentanil
5HT2C_HUMAN

Docking Scores:
-7.98 -8.46
Similarity Score:
38.29%
Best Match:
CHEMBL1729

L: Carbamoylcholine
5HT2C_HUMAN

Docking Scores:
-4.29 -4.59
Similarity Score:
36.54%
Best Match:
CHEMBL1123

L: Icatibant
AA1R_HUMAN

Docking Scores:
? ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
AA1R_HUMAN

Docking Scores:
-9.12 -8.62 -7.93
Similarity Score:
38.29%
Best Match:
CHEMBL275427

L: Balsalazide
AA1R_HUMAN

Docking Scores:
-8.57 -8.59 -8.04
Similarity Score:
40.82%
Best Match:
CHEMBL371131

L: Alfentanil
AA1R_HUMAN

Docking Scores:
-7.54 -7.79 -7.69
Similarity Score:
33.33%
Best Match:
CHEMBL4065629

L: Carbamoylcholine
AA1R_HUMAN

Docking Scores:
-3.91 -3.79 -4.28
Similarity Score:
15.00%
Best Match:
CHEMBL3350613

L: Icatibant
AA2AR_HUMAN

Docking Scores:
? ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
AA2AR_HUMAN

Docking Scores:
-8.97 -9.08 -8.31
Similarity Score:
38.96%
Best Match:
CHEMBL246468

L: Balsalazide
AA2AR_HUMAN

Docking Scores:
-8.51 -8.48 -8.76
Similarity Score:
41.55%
Best Match:
CHEMBL194860

L: Alfentanil
AA2AR_HUMAN

Docking Scores:
-7.42 -7.28 -8.12
Similarity Score:
35.45%
Best Match:
CHEMBL554840

L: Carbamoylcholine
AA2AR_HUMAN

Docking Scores:
-4.12 -4.07 -4.08
Similarity Score:
15.00%
Best Match:
CHEMBL3350613

L: Icatibant
ACES_HUMAN

Docking Scores:
? ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
ACES_HUMAN

Docking Scores:
-10.18 -9.07 -9.95
Similarity Score:
34.25%
Best Match:
CHEMBL3632988

L: Balsalazide
ACES_HUMAN

Docking Scores:
-8.53 -8.92 -7.97
Similarity Score:
43.97%
Best Match:
CHEMBL139353

L: Alfentanil
ACES_HUMAN

Docking Scores:
-9.09 -8.79 -6.61
Similarity Score:
38.46%
Best Match:
CHEMBL141853

L: Carbamoylcholine
ACES_HUMAN

Docking Scores:
-4.64 -4.45 -4.81
Similarity Score:
32.69%
Best Match:
CHEMBL366931

L: Icatibant
ACE_HUMAN

Docking Scores:
-8.84 ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
ACE_HUMAN

Docking Scores:
-9.33 -8.80 -7.54
Similarity Score:
32.86%
Best Match:
CHEMBL3414814

L: Balsalazide
ACE_HUMAN

Docking Scores:
-8.87 -8.34 -8.00
Similarity Score:
41.98%
Best Match:
CHEMBL2112767

L: Alfentanil
ACE_HUMAN

Docking Scores:
-7.98 -8.77 -7.54
Similarity Score:
43.88%
Best Match:
CHEMBL78731

L: Carbamoylcholine
ACE_HUMAN

Docking Scores:
-4.46 -4.33 -4.29
Similarity Score:
23.53%
Best Match:
CHEMBL78440

L: Icatibant
ACHA9_HUMAN

Docking Scores:
-6.53
Similarity Score:
46.90%
Best Match:
CHEMBL386114

L: Nefazodone
ACHA9_HUMAN

Docking Scores:
-5.61
Similarity Score:
21.03%
Best Match:
CHEMBL386114

L: Balsalazide
ACHA9_HUMAN

Docking Scores:
-6.99
Similarity Score:
27.55%
Best Match:
CHEMBL386114

L: Alfentanil
ACHA9_HUMAN

Docking Scores:
-6.31
Similarity Score:
28.44%
Best Match:
CHEMBL386114

L: Carbamoylcholine
ACHA9_HUMAN

Docking Scores:
-3.86
Similarity Score:
8.33%
Best Match:
CHEMBL386114

L: Icatibant
ACHB2_HUMAN

Docking Scores:
? ? ?
Similarity Score:
N/A
Best Match:
N/A

L: Nefazodone
ACHB2_HUMAN

Docking Scores:
-5.53 -8.51 -7.66
Similarity Score:
N/A
Best Match:
N/A

L: Balsalazide
ACHB2_HUMAN

Docking Scores:
-6.75 -7.22 -7.58
Similarity Score:
N/A
Best Match:
N/A

L: Alfentanil
ACHB2_HUMAN

Docking Scores:
-4.74 -2.82 -5.23
Similarity Score:
N/A
Best Match:
N/A

L: Carbamoylcholine
ACHB2_HUMAN

Docking Scores:
-4.89 -4.76 -4.47
Similarity Score:
N/A
Best Match:
N/A

L: Icatibant
ACM1_HUMAN

Docking Scores:
? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
ACM1_HUMAN

Docking Scores:
-9.73 1.57
Similarity Score:
37.70%
Best Match:
CHEMBL270580

L: Balsalazide
ACM1_HUMAN

Docking Scores:
-7.02 -0.71
Similarity Score:
38.46%
Best Match:
CHEMBL3746599

L: Alfentanil
ACM1_HUMAN

Docking Scores:
-8.00 3.38
Similarity Score:
49.64%
Best Match:
CHEMBL1243233

L: Carbamoylcholine
ACM1_HUMAN

Docking Scores:
-4.75 -4.62
Similarity Score:
65.52%
Best Match:
CHEMBL667

L: Icatibant
ACM4_HUMAN

Docking Scores:
? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
ACM4_HUMAN

Docking Scores:
-9.79 -7.78
Similarity Score:
35.50%
Best Match:
CHEMBL3629360

L: Balsalazide
ACM4_HUMAN

Docking Scores:
-8.80 -8.14
Similarity Score:
37.70%
Best Match:
CHEMBL1200604

L: Alfentanil
ACM4_HUMAN

Docking Scores:
-6.95 -7.64
Similarity Score:
44.16%
Best Match:
CHEMBL1223804

L: Carbamoylcholine
ACM4_HUMAN

Docking Scores:
-4.66 -4.25
Similarity Score:
100.00%
Best Match:
CHEMBL965

L: Icatibant
ADRB2_HUMAN

Docking Scores:
-5.05 -3.26 -1.91
Similarity Score:
42.45%
Best Match:
CHEMBL1814275

L: Nefazodone
ADRB2_HUMAN

Docking Scores:
-8.92 -9.45 -9.77
Similarity Score:
42.86%
Best Match:
CHEMBL199824

L: Balsalazide
ADRB2_HUMAN

Docking Scores:
-9.14 -9.49 -9.49
Similarity Score:
46.92%
Best Match:
CHEMBL1459608

L: Alfentanil
ADRB2_HUMAN

Docking Scores:
-7.60 -8.62 -8.44
Similarity Score:
40.40%
Best Match:
CHEMBL1459608

L: Carbamoylcholine
ADRB2_HUMAN

Docking Scores:
-4.88 -4.27 -4.24
Similarity Score:
23.81%
Best Match:
CHEMBL4062049

L: Icatibant
AGTR2_HUMAN

Docking Scores:
-9.05 -10.27 -8.75
Similarity Score:
54.30%
Best Match:
CHEMBL3350599

L: Nefazodone
AGTR2_HUMAN

Docking Scores:
-9.13 -9.40 -8.82
Similarity Score:
33.10%
Best Match:
CHEMBL125760

L: Balsalazide
AGTR2_HUMAN

Docking Scores:
-8.08 -8.06 -7.96
Similarity Score:
36.50%
Best Match:
CHEMBL376286

L: Alfentanil
AGTR2_HUMAN

Docking Scores:
-7.79 -8.13 -7.90
Similarity Score:
34.50%
Best Match:
CHEMBL348157

L: Carbamoylcholine
AGTR2_HUMAN

Docking Scores:
-3.89 -4.11 -3.83
Similarity Score:
14.71%
Best Match:
CHEMBL290829

L: Icatibant
ALDR_HUMAN

Docking Scores:
0.05 -4.62 -5.98
Similarity Score:
41.90%
Best Match:
CHEMBL10382

L: Nefazodone
ALDR_HUMAN

Docking Scores:
-9.04 -8.72 -9.15
Similarity Score:
38.07%
Best Match:
CHEMBL143633

L: Balsalazide
ALDR_HUMAN

Docking Scores:
-9.13 -9.16 -8.73
Similarity Score:
39.16%
Best Match:
CHEMBL414208

L: Alfentanil
ALDR_HUMAN

Docking Scores:
-8.03 -7.79 -7.50
Similarity Score:
34.50%
Best Match:
CHEMBL344057

L: Carbamoylcholine
ALDR_HUMAN

Docking Scores:
-4.86 -4.80 -4.89
Similarity Score:
16.47%
Best Match:
CHEMBL436

L: Icatibant
AMPN_HUMAN

Docking Scores:
-9.32 -9.74 -9.10
Similarity Score:
62.64%
Best Match:
CHEMBL1077590

L: Nefazodone
AMPN_HUMAN

Docking Scores:
-8.50 -9.11 -7.93
Similarity Score:
30.94%
Best Match:
CHEMBL328470

L: Balsalazide
AMPN_HUMAN

Docking Scores:
-8.99 -8.25 -8.43
Similarity Score:
30.50%
Best Match:
CHEMBL2204950

L: Alfentanil
AMPN_HUMAN

Docking Scores:
-7.96 -8.07 -7.95
Similarity Score:
38.10%
Best Match:
CHEMBL328470

L: Carbamoylcholine
AMPN_HUMAN

Docking Scores:
-4.04 -4.42 -4.46
Similarity Score:
26.67%
Best Match:
CHEMBL3298947

L: Icatibant
AOFA_HUMAN

Docking Scores:
9.00 ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
AOFA_HUMAN

Docking Scores:
-10.56 -10.20 -10.22
Similarity Score:
32.98%
Best Match:
CHEMBL4089754

L: Balsalazide
AOFA_HUMAN

Docking Scores:
-9.49 -9.49 -10.17
Similarity Score:
40.40%
Best Match:
CHEMBL3407586

L: Alfentanil
AOFA_HUMAN

Docking Scores:
-8.53 -8.49 -8.88
Similarity Score:
37.44%
Best Match:
CHEMBL394864

L: Carbamoylcholine
AOFA_HUMAN

Docking Scores:
-4.37 -4.45 -4.76
Similarity Score:
23.47%
Best Match:
CHEMBL3780524

L: Icatibant
AOFB_HUMAN

Docking Scores:
? ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
AOFB_HUMAN

Docking Scores:
-10.38 -10.43 -10.28
Similarity Score:
34.87%
Best Match:
CHEMBL4104691

L: Balsalazide
AOFB_HUMAN

Docking Scores:
-9.77 -10.29 -9.88
Similarity Score:
42.06%
Best Match:
CHEMBL2426047

L: Alfentanil
AOFB_HUMAN

Docking Scores:
-9.57 -8.75 -8.72
Similarity Score:
31.33%
Best Match:
CHEMBL3781329

L: Carbamoylcholine
AOFB_HUMAN

Docking Scores:
-4.49 -4.56 -4.57
Similarity Score:
18.68%
Best Match:
CHEMBL3781329

L: Icatibant
BACE1_HUMAN

Docking Scores:
-8.28 -9.18 -7.99
Similarity Score:
64.68%
Best Match:
CHEMBL1773545

L: Nefazodone
BACE1_HUMAN

Docking Scores:
-7.51 -7.56 -8.13
Similarity Score:
32.46%
Best Match:
CHEMBL3747119

L: Balsalazide
BACE1_HUMAN

Docking Scores:
-6.88 -7.40 -8.48
Similarity Score:
41.73%
Best Match:
CHEMBL190644

L: Alfentanil
BACE1_HUMAN

Docking Scores:
-6.77 -6.97 -7.51
Similarity Score:
46.43%
Best Match:
CHEMBL1645517

L: Carbamoylcholine
BACE1_HUMAN

Docking Scores:
-3.96 -4.05 -3.94
Similarity Score:
19.23%
Best Match:
CHEMBL211256

L: Icatibant
CAH2_HUMAN

Docking Scores:
-7.34 -8.13 -4.80
Similarity Score:
49.04%
Best Match:
CHEMBL306510

L: Nefazodone
CAH2_HUMAN

Docking Scores:
-7.94 -7.85 -8.02
Similarity Score:
31.84%
Best Match:
CHEMBL4100795

L: Balsalazide
CAH2_HUMAN

Docking Scores:
-7.84 -8.02 -7.65
Similarity Score:
47.37%
Best Match:
CHEMBL51534

L: Alfentanil
CAH2_HUMAN

Docking Scores:
-7.34 -6.93 -6.84
Similarity Score:
37.67%
Best Match:
CHEMBL183450

L: Carbamoylcholine
CAH2_HUMAN

Docking Scores:
-4.67 -4.58 -4.60
Similarity Score:
32.50%
Best Match:
CHEMBL2380745

L: Icatibant
CASP1_HUMAN

Docking Scores:
-7.25 -7.37 -6.02
Similarity Score:
51.09%
Best Match:
CHEMBL59362

L: Nefazodone
CASP1_HUMAN

Docking Scores:
-6.17 -7.86 -6.81
Similarity Score:
32.55%
Best Match:
CHEMBL26302

L: Balsalazide
CASP1_HUMAN

Docking Scores:
-6.99 -6.90 -6.83
Similarity Score:
48.78%
Best Match:
CHEMBL597796

L: Alfentanil
CASP1_HUMAN

Docking Scores:
-5.81 -6.47 -5.96
Similarity Score:
42.21%
Best Match:
CHEMBL322631

L: Carbamoylcholine
CASP1_HUMAN

Docking Scores:
-3.58 -3.77 -4.28
Similarity Score:
19.80%
Best Match:
CHEMBL430648

L: Icatibant
CDK5_HUMAN

Docking Scores:
-6.23 -5.70 4.27
Similarity Score:
33.46%
Best Match:
CHEMBL1983111

L: Nefazodone
CDK5_HUMAN

Docking Scores:
-8.17 -8.03 -8.51
Similarity Score:
32.23%
Best Match:
CHEMBL1976040

L: Balsalazide
CDK5_HUMAN

Docking Scores:
-7.68 -7.57 -8.85
Similarity Score:
42.62%
Best Match:
CHEMBL1988141

L: Alfentanil
CDK5_HUMAN

Docking Scores:
-6.72 -6.46 -6.64
Similarity Score:
30.00%
Best Match:
CHEMBL1988141

L: Carbamoylcholine
CDK5_HUMAN

Docking Scores:
-4.33 -4.22 -4.36
Similarity Score:
17.44%
Best Match:
CHEMBL1974288

L: Icatibant
CHLE_HUMAN

Docking Scores:
? ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
CHLE_HUMAN

Docking Scores:
-9.59 -9.64 -9.93
Similarity Score:
34.25%
Best Match:
CHEMBL3632988

L: Balsalazide
CHLE_HUMAN

Docking Scores:
-8.14 -7.83 -7.95
Similarity Score:
41.22%
Best Match:
CHEMBL544592

L: Alfentanil
CHLE_HUMAN

Docking Scores:
-7.91 -8.44 -7.94
Similarity Score:
38.06%
Best Match:
CHEMBL4060562

L: Carbamoylcholine
CHLE_HUMAN

Docking Scores:
-4.28 -4.36 -4.60
Similarity Score:
28.41%
Best Match:
CHEMBL480176

L: Icatibant
CNR1_HUMAN

Docking Scores:
-6.75 -3.75 -2.86
Similarity Score:
47.46%
Best Match:
CHEMBL562123

L: Nefazodone
CNR1_HUMAN

Docking Scores:
-7.50 -9.72 -10.78
Similarity Score:
41.54%
Best Match:
CHEMBL3798331

L: Balsalazide
CNR1_HUMAN

Docking Scores:
-7.93 -9.62 -9.18
Similarity Score:
43.61%
Best Match:
CHEMBL1765259

L: Alfentanil
CNR1_HUMAN

Docking Scores:
-7.72 -9.03 -8.12
Similarity Score:
39.57%
Best Match:
CHEMBL199873

L: Carbamoylcholine
CNR1_HUMAN

Docking Scores:
-4.73 -4.83 -4.54
Similarity Score:
25.00%
Best Match:
CHEMBL175247

L: Icatibant
CNR2_HUMAN

Docking Scores:
? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
CNR2_HUMAN

Docking Scores:
-10.65 -10.48
Similarity Score:
37.27%
Best Match:
CHEMBL3092891

L: Balsalazide
CNR2_HUMAN

Docking Scores:
-8.33 -8.42
Similarity Score:
43.61%
Best Match:
CHEMBL1765259

L: Alfentanil
CNR2_HUMAN

Docking Scores:
-8.04 -8.77
Similarity Score:
39.61%
Best Match:
CHEMBL1762292

L: Carbamoylcholine
CNR2_HUMAN

Docking Scores:
-4.24 -4.29
Similarity Score:
24.10%
Best Match:
CHEMBL3597331

L: Icatibant
COLI_HUMAN

Docking Scores:
-8.34 -7.68 -7.97
Similarity Score:
N/A
Best Match:
N/A

L: Nefazodone
COLI_HUMAN

Docking Scores:
-8.91 -8.41 -8.76
Similarity Score:
N/A
Best Match:
N/A

L: Balsalazide
COLI_HUMAN

Docking Scores:
-9.41 -9.21 -8.28
Similarity Score:
N/A
Best Match:
N/A

L: Alfentanil
COLI_HUMAN

Docking Scores:
-7.52 -7.68 -6.83
Similarity Score:
N/A
Best Match:
N/A

L: Carbamoylcholine
COLI_HUMAN

Docking Scores:
-4.46 -4.59 -3.75
Similarity Score:
N/A
Best Match:
N/A

L: Icatibant
COMT_HUMAN

Docking Scores:
? ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
COMT_HUMAN

Docking Scores:
-6.20 -6.57 -6.85
Similarity Score:
29.84%
Best Match:
CHEMBL3954860

L: Balsalazide
COMT_HUMAN

Docking Scores:
-6.29 -6.11 -6.44
Similarity Score:
38.40%
Best Match:
CHEMBL3818719

L: Alfentanil
COMT_HUMAN

Docking Scores:
-5.52 -6.06 -5.47
Similarity Score:
25.59%
Best Match:
CHEMBL3819488

L: Carbamoylcholine
COMT_HUMAN

Docking Scores:
-3.78 -3.59 -4.01
Similarity Score:
11.11%
Best Match:
CHEMBL3425734

L: Icatibant
CRP_HUMAN

Docking Scores:
-5.22 3.30
Similarity Score:
N/A
Best Match:
N/A

L: Nefazodone
CRP_HUMAN

Docking Scores:
-6.16 -5.51
Similarity Score:
N/A
Best Match:
N/A

L: Balsalazide
CRP_HUMAN

Docking Scores:
-6.39 -6.59
Similarity Score:
N/A
Best Match:
N/A

L: Alfentanil
CRP_HUMAN

Docking Scores:
-5.35 -5.48
Similarity Score:
N/A
Best Match:
N/A

L: Carbamoylcholine
CRP_HUMAN

Docking Scores:
-3.56 -3.64
Similarity Score:
N/A
Best Match:
N/A

L: Icatibant
CXCR1_HUMAN

Docking Scores:
?
Similarity Score:
?
Best Match:
?

L: Nefazodone
CXCR1_HUMAN

Docking Scores:
-1.37
Similarity Score:
24.02%
Best Match:
CHEMBL376621

L: Balsalazide
CXCR1_HUMAN

Docking Scores:
-3.37
Similarity Score:
36.76%
Best Match:
CHEMBL556656

L: Alfentanil
CXCR1_HUMAN

Docking Scores:
-4.35
Similarity Score:
29.73%
Best Match:
CHEMBL3701188

L: Carbamoylcholine
CXCR1_HUMAN

Docking Scores:
-5.00
Similarity Score:
11.76%
Best Match:
CHEMBL139

L: Icatibant
CXCR4_HUMAN

Docking Scores:
-7.97 -8.57 -7.13
Similarity Score:
64.93%
Best Match:
CHEMBL3894327

L: Nefazodone
CXCR4_HUMAN

Docking Scores:
-9.57 -7.26 -8.25
Similarity Score:
28.40%
Best Match:
CHEMBL1256528

L: Balsalazide
CXCR4_HUMAN

Docking Scores:
-8.32 -7.86 -6.91
Similarity Score:
31.85%
Best Match:
CHEMBL2062277

L: Alfentanil
CXCR4_HUMAN

Docking Scores:
-8.23 -6.86 -7.36
Similarity Score:
31.77%
Best Match:
CHEMBL3893083

L: Carbamoylcholine
CXCR4_HUMAN

Docking Scores:
-4.92 -4.19 -3.73
Similarity Score:
17.72%
Best Match:
CHEMBL3948266

L: Icatibant
DRD2_HUMAN

Docking Scores:
-7.15
Similarity Score:
50.00%
Best Match:
CHEMBL3647674

L: Nefazodone
DRD2_HUMAN

Docking Scores:
-9.18
Similarity Score:
43.60%
Best Match:
CHEMBL2165134

L: Balsalazide
DRD2_HUMAN

Docking Scores:
-8.74
Similarity Score:
42.15%
Best Match:
CHEMBL3759491

L: Alfentanil
DRD2_HUMAN

Docking Scores:
-7.37
Similarity Score:
45.45%
Best Match:
CHEMBL1242923

L: Carbamoylcholine
DRD2_HUMAN

Docking Scores:
-4.44
Similarity Score:
23.33%
Best Match:
CHEMBL128524

L: Icatibant
DRD3_HUMAN

Docking Scores:
-3.57
Similarity Score:
43.95%
Best Match:
CHEMBL559873

L: Nefazodone
DRD3_HUMAN

Docking Scores:
-9.01
Similarity Score:
42.86%
Best Match:
CHEMBL199824

L: Balsalazide
DRD3_HUMAN

Docking Scores:
-8.99
Similarity Score:
42.15%
Best Match:
CHEMBL3758330

L: Alfentanil
DRD3_HUMAN

Docking Scores:
-7.42
Similarity Score:
40.14%
Best Match:
CHEMBL3354072

L: Carbamoylcholine
DRD3_HUMAN

Docking Scores:
-4.76
Similarity Score:
36.54%
Best Match:
CHEMBL1123

L: Icatibant
DRD4_HUMAN

Docking Scores:
4.05 -5.10
Similarity Score:
40.52%
Best Match:
CHEMBL1771111

L: Nefazodone
DRD4_HUMAN

Docking Scores:
-9.99 -10.10
Similarity Score:
42.86%
Best Match:
CHEMBL199824

L: Balsalazide
DRD4_HUMAN

Docking Scores:
-9.25 -9.12
Similarity Score:
44.09%
Best Match:
CHEMBL57019

L: Alfentanil
DRD4_HUMAN

Docking Scores:
-8.52 -8.60
Similarity Score:
40.14%
Best Match:
CHEMBL3354072

L: Carbamoylcholine
DRD4_HUMAN

Docking Scores:
-4.29 -4.44
Similarity Score:
23.33%
Best Match:
CHEMBL128524

L: Icatibant
EDN1_HUMAN

Docking Scores:
-8.79
Similarity Score:
N/A
Best Match:
N/A

L: Nefazodone
EDN1_HUMAN

Docking Scores:
-8.37
Similarity Score:
N/A
Best Match:
N/A

L: Balsalazide
EDN1_HUMAN

Docking Scores:
-7.53
Similarity Score:
N/A
Best Match:
N/A

L: Alfentanil
EDN1_HUMAN

Docking Scores:
-7.78
Similarity Score:
N/A
Best Match:
N/A

L: Carbamoylcholine
EDN1_HUMAN

Docking Scores:
-3.83
Similarity Score:
N/A
Best Match:
N/A

L: Icatibant
ESR1_HUMAN

Docking Scores:
-1.21 -6.91 -5.63
Similarity Score:
46.34%
Best Match:
CHEMBL241042

L: Nefazodone
ESR1_HUMAN

Docking Scores:
-9.23 -8.65 -7.91
Similarity Score:
35.00%
Best Match:
CHEMBL1462307

L: Balsalazide
ESR1_HUMAN

Docking Scores:
-8.19 -7.64 -6.90
Similarity Score:
39.09%
Best Match:
CHEMBL3645266

L: Alfentanil
ESR1_HUMAN

Docking Scores:
-7.83 -7.59 -7.77
Similarity Score:
36.59%
Best Match:
CHEMBL1475062

L: Carbamoylcholine
ESR1_HUMAN

Docking Scores:
-4.49 -4.51 -4.47
Similarity Score:
26.56%
Best Match:
CHEMBL2165350

L: Icatibant
FABP5_HUMAN

Docking Scores:
6.33 -6.84 -7.01
Similarity Score:
28.16%
Best Match:
CHEMBL3938613

L: Nefazodone
FABP5_HUMAN

Docking Scores:
-9.31 -5.12 -5.47
Similarity Score:
24.89%
Best Match:
CHEMBL245284

L: Balsalazide
FABP5_HUMAN

Docking Scores:
-5.73 -6.23 -5.86
Similarity Score:
27.27%
Best Match:
CHEMBL3941588

L: Alfentanil
FABP5_HUMAN

Docking Scores:
-8.03 -5.73 -5.76
Similarity Score:
29.00%
Best Match:
CHEMBL3959018

L: Carbamoylcholine
FABP5_HUMAN

Docking Scores:
-4.17 -3.67 -3.63
Similarity Score:
12.82%
Best Match:
CHEMBL82293

L: Icatibant
FYN_HUMAN

Docking Scores:
-8.04
Similarity Score:
38.53%
Best Match:
CHEMBL432649

L: Nefazodone
FYN_HUMAN

Docking Scores:
-8.53
Similarity Score:
33.33%
Best Match:
CHEMBL3824089

L: Balsalazide
FYN_HUMAN

Docking Scores:
-8.68
Similarity Score:
42.62%
Best Match:
CHEMBL1988141

L: Alfentanil
FYN_HUMAN

Docking Scores:
-7.15
Similarity Score:
34.56%
Best Match:
CHEMBL407135

L: Carbamoylcholine
FYN_HUMAN

Docking Scores:
-3.94
Similarity Score:
16.47%
Best Match:
CHEMBL221753

L: Icatibant
GLRA3_HUMAN

Docking Scores:
12.67 -2.93 -7.14
Similarity Score:
25.43%
Best Match:
CHEMBL4070615

L: Icatibant
GLRA3_HUMAN

Docking Scores:
-7.57
Similarity Score:
25.43%
Best Match:
CHEMBL4070615

L: Nefazodone
GLRA3_HUMAN

Docking Scores:
-8.49 -8.25 -9.18
Similarity Score:
20.28%
Best Match:
CHEMBL4070615

L: Nefazodone
GLRA3_HUMAN

Docking Scores:
-8.57
Similarity Score:
20.28%
Best Match:
CHEMBL4070615

L: Balsalazide
GLRA3_HUMAN

Docking Scores:
-7.20 -7.93 -7.81
Similarity Score:
18.41%
Best Match:
CHEMBL4070615

L: Balsalazide
GLRA3_HUMAN

Docking Scores:
-8.27
Similarity Score:
18.41%
Best Match:
CHEMBL4070615

L: Alfentanil
GLRA3_HUMAN

Docking Scores:
-7.82 -7.83 -7.56
Similarity Score:
24.08%
Best Match:
CHEMBL4070615

L: Alfentanil
GLRA3_HUMAN

Docking Scores:
-8.90
Similarity Score:
24.08%
Best Match:
CHEMBL4070615

L: Carbamoylcholine
GLRA3_HUMAN

Docking Scores:
-4.27 -4.51 -4.55
Similarity Score:
6.44%
Best Match:
CHEMBL4070615

L: Carbamoylcholine
GLRA3_HUMAN

Docking Scores:
-4.45
Similarity Score:
6.44%
Best Match:
CHEMBL4070615

L: Icatibant
GRM5_HUMAN

Docking Scores:
? ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
GRM5_HUMAN

Docking Scores:
-9.31 -9.38 -8.53
Similarity Score:
34.75%
Best Match:
CHEMBL3633955

L: Balsalazide
GRM5_HUMAN

Docking Scores:
-9.22 -7.08 -7.14
Similarity Score:
42.86%
Best Match:
CHEMBL2151818

L: Alfentanil
GRM5_HUMAN

Docking Scores:
-6.93 -6.31 -6.10
Similarity Score:
40.12%
Best Match:
CHEMBL3939327

L: Carbamoylcholine
GRM5_HUMAN

Docking Scores:
-4.64 -4.66 -4.61
Similarity Score:
20.00%
Best Match:
CHEMBL1290670

L: Icatibant
HPGDS_HUMAN

Docking Scores:
-6.48 -8.29 -6.74
Similarity Score:
44.64%
Best Match:
CHEMBL3903606

L: Nefazodone
HPGDS_HUMAN

Docking Scores:
-8.38 -9.03 -7.88
Similarity Score:
34.45%
Best Match:
CHEMBL3650205

L: Balsalazide
HPGDS_HUMAN

Docking Scores:
-7.86 -8.36 -8.61
Similarity Score:
36.59%
Best Match:
CHEMBL2035654

L: Alfentanil
HPGDS_HUMAN

Docking Scores:
-6.76 -6.72 -6.86
Similarity Score:
41.52%
Best Match:
CHEMBL3425956

L: Carbamoylcholine
HPGDS_HUMAN

Docking Scores:
-4.17 -3.66 -4.08
Similarity Score:
20.99%
Best Match:
CHEMBL2035656

L: Icatibant
HRH1_HUMAN

Docking Scores:
?
Similarity Score:
?
Best Match:
?

L: Nefazodone
HRH1_HUMAN

Docking Scores:
-9.49
Similarity Score:
51.98%
Best Match:
CHEMBL621

L: Balsalazide
HRH1_HUMAN

Docking Scores:
-9.34
Similarity Score:
41.01%
Best Match:
CHEMBL2171024

L: Alfentanil
HRH1_HUMAN

Docking Scores:
-6.43
Similarity Score:
45.45%
Best Match:
CHEMBL1242923

L: Carbamoylcholine
HRH1_HUMAN

Docking Scores:
-4.57
Similarity Score:
25.51%
Best Match:
CHEMBL481153

L: Icatibant
HYES_HUMAN

Docking Scores:
-9.31 ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
HYES_HUMAN

Docking Scores:
-8.53 -9.30 -8.64
Similarity Score:
33.16%
Best Match:
CHEMBL3222131

L: Balsalazide
HYES_HUMAN

Docking Scores:
-9.58 -8.98 -8.39
Similarity Score:
43.41%
Best Match:
CHEMBL477046

L: Alfentanil
HYES_HUMAN

Docking Scores:
-7.98 -7.98 -8.01
Similarity Score:
42.25%
Best Match:
CHEMBL549576

L: Carbamoylcholine
HYES_HUMAN

Docking Scores:
-4.86 -4.64 -4.10
Similarity Score:
25.42%
Best Match:
CHEMBL1818418

L: Icatibant
IKKB_HUMAN

Docking Scores:
-5.75
Similarity Score:
33.46%
Best Match:
CHEMBL372160

L: Nefazodone
IKKB_HUMAN

Docking Scores:
-8.42
Similarity Score:
30.50%
Best Match:
CHEMBL1223063

L: Balsalazide
IKKB_HUMAN

Docking Scores:
-8.03
Similarity Score:
39.24%
Best Match:
CHEMBL514334

L: Alfentanil
IKKB_HUMAN

Docking Scores:
-5.83
Similarity Score:
34.62%
Best Match:
CHEMBL2208034

L: Carbamoylcholine
IKKB_HUMAN

Docking Scores:
-3.83
Similarity Score:
14.42%
Best Match:
CHEMBL507333

L: Icatibant
MDR1_HUMAN

Docking Scores:
-9.22 -8.74
Similarity Score:
49.33%
Best Match:
CHEMBL2074676

L: Nefazodone
MDR1_HUMAN

Docking Scores:
-8.63 -8.46
Similarity Score:
51.98%
Best Match:
CHEMBL621

L: Balsalazide
MDR1_HUMAN

Docking Scores:
-8.40 -8.54
Similarity Score:
44.86%
Best Match:
CHEMBL2074727

L: Alfentanil
MDR1_HUMAN

Docking Scores:
-7.61 -7.38
Similarity Score:
38.46%
Best Match:
CHEMBL1008

L: Carbamoylcholine
MDR1_HUMAN

Docking Scores:
-4.32 -4.18
Similarity Score:
30.16%
Best Match:
CHEMBL1201219

L: Icatibant
MIF_HUMAN

Docking Scores:
? ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
MIF_HUMAN

Docking Scores:
-7.69 -8.17 -7.53
Similarity Score:
24.36%
Best Match:
CHEMBL3897449

L: Balsalazide
MIF_HUMAN

Docking Scores:
-6.53 -7.52 -7.23
Similarity Score:
36.76%
Best Match:
CHEMBL1604170

L: Alfentanil
MIF_HUMAN

Docking Scores:
-6.67 -6.89 -5.50
Similarity Score:
23.50%
Best Match:
CHEMBL554271

L: Carbamoylcholine
MIF_HUMAN

Docking Scores:
-4.30 -4.50 -4.16
Similarity Score:
14.56%
Best Match:
CHEMBL1604170

L: Icatibant
MK01_HUMAN

Docking Scores:
-7.10 -7.34 0.49
Similarity Score:
48.62%
Best Match:
CHEMBL3752989

L: Nefazodone
MK01_HUMAN

Docking Scores:
-8.27 -7.95 -8.78
Similarity Score:
35.18%
Best Match:
CHEMBL3398598

L: Balsalazide
MK01_HUMAN

Docking Scores:
-8.29 -7.52 -6.90
Similarity Score:
38.67%
Best Match:
CHEMBL3799370

L: Alfentanil
MK01_HUMAN

Docking Scores:
-6.36 -7.08 -7.23
Similarity Score:
38.67%
Best Match:
CHEMBL3398602

L: Carbamoylcholine
MK01_HUMAN

Docking Scores:
-4.01 -3.88 -4.12
Similarity Score:
17.44%
Best Match:
CHEMBL1974288

L: Icatibant
MK03_HUMAN

Docking Scores:
-3.34 -7.96 -8.18
Similarity Score:
38.46%
Best Match:
CHEMBL3113587

L: Nefazodone
MK03_HUMAN

Docking Scores:
-9.03 -9.58 -8.54
Similarity Score:
29.52%
Best Match:
CHEMBL3590107

L: Balsalazide
MK03_HUMAN

Docking Scores:
-8.21 -9.14 -8.11
Similarity Score:
36.81%
Best Match:
CHEMBL3798163

L: Alfentanil
MK03_HUMAN

Docking Scores:
-6.87 -6.72 -7.54
Similarity Score:
30.65%
Best Match:
CHEMBL3590107

L: Carbamoylcholine
MK03_HUMAN

Docking Scores:
-4.04 -3.87 -4.35
Similarity Score:
16.50%
Best Match:
CHEMBL3113587

L: Icatibant
MTOR_HUMAN

Docking Scores:
-9.10 -9.08 -9.54
Similarity Score:
43.85%
Best Match:
CHEMBL4074753

L: Nefazodone
MTOR_HUMAN

Docking Scores:
-9.66 -10.32 -10.24
Similarity Score:
38.93%
Best Match:
CHEMBL556947

L: Balsalazide
MTOR_HUMAN

Docking Scores:
-7.77 -8.85 -8.01
Similarity Score:
36.26%
Best Match:
CHEMBL3701176

L: Alfentanil
MTOR_HUMAN

Docking Scores:
-9.17 -8.56 -8.64
Similarity Score:
40.76%
Best Match:
CHEMBL411735

L: Carbamoylcholine
MTOR_HUMAN

Docking Scores:
-3.83 -4.19 -3.80
Similarity Score:
17.28%
Best Match:
CHEMBL3972399

L: Icatibant
NEP_HUMAN

Docking Scores:
-7.35 -9.04 -7.44
Similarity Score:
58.67%
Best Match:
CHEMBL198316

L: Nefazodone
NEP_HUMAN

Docking Scores:
-7.55 -9.43 -10.14
Similarity Score:
30.13%
Best Match:
CHEMBL50559

L: Balsalazide
NEP_HUMAN

Docking Scores:
-8.61 -8.13 -8.84
Similarity Score:
35.21%
Best Match:
CHEMBL3677665

L: Alfentanil
NEP_HUMAN

Docking Scores:
-6.57 -6.88 -7.58
Similarity Score:
37.97%
Best Match:
CHEMBL51389

L: Carbamoylcholine
NEP_HUMAN

Docking Scores:
-4.29 -4.88 -5.00
Similarity Score:
19.05%
Best Match:
CHEMBL254900

L: Icatibant
NK1R_HUMAN

Docking Scores:
-8.96 -7.03 -7.82
Similarity Score:
60.10%
Best Match:
CHEMBL1782141

L: Nefazodone
NK1R_HUMAN

Docking Scores:
-9.21 -8.76 -8.74
Similarity Score:
36.20%
Best Match:
CHEMBL2313630

L: Balsalazide
NK1R_HUMAN

Docking Scores:
-7.69 -8.07 -7.47
Similarity Score:
38.46%
Best Match:
CHEMBL23928

L: Alfentanil
NK1R_HUMAN

Docking Scores:
-8.49 -7.61 -7.56
Similarity Score:
45.83%
Best Match:
CHEMBL2313628

L: Carbamoylcholine
NK1R_HUMAN

Docking Scores:
-4.07 -4.04 -3.64
Similarity Score:
19.81%
Best Match:
CHEMBL136389

L: Icatibant
NMDE1_HUMAN

Docking Scores:
-8.15 -7.95 -7.36
Similarity Score:
28.65%
Best Match:
CHEMBL284237

L: Nefazodone
NMDE1_HUMAN

Docking Scores:
-9.47 -9.57 -8.65
Similarity Score:
16.90%
Best Match:
CHEMBL2333945

L: Balsalazide
NMDE1_HUMAN

Docking Scores:
-9.59 -9.65 -9.47
Similarity Score:
24.06%
Best Match:
CHEMBL284237

L: Alfentanil
NMDE1_HUMAN

Docking Scores:
-7.75 -6.97 -7.19
Similarity Score:
13.41%
Best Match:
CHEMBL284237

L: Carbamoylcholine
NMDE1_HUMAN

Docking Scores:
-4.85 -5.09 -4.91
Similarity Score:
7.78%
Best Match:
CHEMBL284237

L: Icatibant
NMDE2_HUMAN

Docking Scores:
-8.55 ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
NMDE2_HUMAN

Docking Scores:
-10.24 -9.61 -9.15
Similarity Score:
24.58%
Best Match:
CHEMBL48029

L: Balsalazide
NMDE2_HUMAN

Docking Scores:
-8.95 -9.56 -9.51
Similarity Score:
35.42%
Best Match:
CHEMBL2013199

L: Alfentanil
NMDE2_HUMAN

Docking Scores:
-8.33 -9.32 -6.34
Similarity Score:
30.25%
Best Match:
CHEMBL218017

L: Carbamoylcholine
NMDE2_HUMAN

Docking Scores:
-4.63 -4.46 -4.63
Similarity Score:
19.57%
Best Match:
CHEMBL219060

L: Icatibant
NMDZ1_HUMAN

Docking Scores:
-8.24 -7.76 -7.36
Similarity Score:
41.10%
Best Match:
CHEMBL354003

L: Nefazodone
NMDZ1_HUMAN

Docking Scores:
-9.21 -9.56 -8.65
Similarity Score:
28.81%
Best Match:
CHEMBL162577

L: Balsalazide
NMDZ1_HUMAN

Docking Scores:
-9.70 -9.81 -9.47
Similarity Score:
33.33%
Best Match:
CHEMBL163916

L: Alfentanil
NMDZ1_HUMAN

Docking Scores:
-7.03 -7.57 -7.19
Similarity Score:
28.84%
Best Match:
CHEMBL399075

L: Carbamoylcholine
NMDZ1_HUMAN

Docking Scores:
-4.91 -4.84 -4.91
Similarity Score:
11.89%
Best Match:
CHEMBL248439

L: Icatibant
NOS1_HUMAN

Docking Scores:
-6.86 -8.09 -7.29
Similarity Score:
35.90%
Best Match:
CHEMBL3216543

L: Nefazodone
NOS1_HUMAN

Docking Scores:
-9.34 -9.55 -8.98
Similarity Score:
33.33%
Best Match:
CHEMBL3216999

L: Balsalazide
NOS1_HUMAN

Docking Scores:
-9.13 -9.23 -8.43
Similarity Score:
37.06%
Best Match:
CHEMBL1221659

L: Alfentanil
NOS1_HUMAN

Docking Scores:
-7.02 -7.10 -7.45
Similarity Score:
35.71%
Best Match:
CHEMBL317521

L: Carbamoylcholine
NOS1_HUMAN

Docking Scores:
-4.65 -4.81 -4.97
Similarity Score:
24.19%
Best Match:
CHEMBL1956111

L: Icatibant
NOS2_HUMAN

Docking Scores:
? ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
NOS2_HUMAN

Docking Scores:
-8.28 -8.91 -6.21
Similarity Score:
34.02%
Best Match:
CHEMBL440473

L: Balsalazide
NOS2_HUMAN

Docking Scores:
-7.89 -8.80 2.82
Similarity Score:
37.06%
Best Match:
CHEMBL1221659

L: Alfentanil
NOS2_HUMAN

Docking Scores:
-6.38 -7.35 -6.15
Similarity Score:
35.62%
Best Match:
CHEMBL112747

L: Carbamoylcholine
NOS2_HUMAN

Docking Scores:
-4.76 -5.16 -5.35
Similarity Score:
27.87%
Best Match:
CHEMBL473674

L: Icatibant
NTRK1_HUMAN

Docking Scores:
-6.93 -6.53 -7.27
Similarity Score:
34.89%
Best Match:
CHEMBL1258913

L: Nefazodone
NTRK1_HUMAN

Docking Scores:
-8.33 -9.63 -9.02
Similarity Score:
36.11%
Best Match:
CHEMBL3915565

L: Balsalazide
NTRK1_HUMAN

Docking Scores:
-8.69 -8.90 -8.75
Similarity Score:
42.62%
Best Match:
CHEMBL1988141

L: Alfentanil
NTRK1_HUMAN

Docking Scores:
-7.09 -7.17 -7.09
Similarity Score:
35.96%
Best Match:
CHEMBL3934925

L: Carbamoylcholine
NTRK1_HUMAN

Docking Scores:
-3.74 -4.07 -3.83
Similarity Score:
17.65%
Best Match:
CHEMBL1984131

L: Icatibant
OPRD_HUMAN

Docking Scores:
-7.79 27.60 ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
OPRD_HUMAN

Docking Scores:
-8.01 -7.12 -7.48
Similarity Score:
35.26%
Best Match:
CHEMBL427683

L: Balsalazide
OPRD_HUMAN

Docking Scores:
-7.80 -6.13 -7.55
Similarity Score:
45.90%
Best Match:
CHEMBL577394

L: Alfentanil
OPRD_HUMAN

Docking Scores:
-7.48 -6.86 -7.26
Similarity Score:
60.84%
Best Match:
CHEMBL169366

L: Carbamoylcholine
OPRD_HUMAN

Docking Scores:
-3.80 -3.58 -3.40
Similarity Score:
18.52%
Best Match:
CHEMBL3967052

L: Icatibant
OPRK_HUMAN

Docking Scores:
-8.63 -9.00 -6.94
Similarity Score:
61.14%
Best Match:
CHEMBL3808415

L: Nefazodone
OPRK_HUMAN

Docking Scores:
-9.54 -9.23 -9.74
Similarity Score:
37.36%
Best Match:
CHEMBL526747

L: Balsalazide
OPRK_HUMAN

Docking Scores:
-8.13 -8.30 -8.19
Similarity Score:
41.53%
Best Match:
CHEMBL1257457

L: Alfentanil
OPRK_HUMAN

Docking Scores:
-8.79 -7.74 -7.73
Similarity Score:
59.84%
Best Match:
CHEMBL609147

L: Carbamoylcholine
OPRK_HUMAN

Docking Scores:
-3.81 -4.22 -4.64
Similarity Score:
24.10%
Best Match:
CHEMBL3219944

L: Icatibant
OPRM_MOUSE

Docking Scores:
-8.35 -8.17
Similarity Score:
57.75%
Best Match:
CHEMBL330991

L: Nefazodone
OPRM_MOUSE

Docking Scores:
-8.16 -8.42
Similarity Score:
32.56%
Best Match:
CHEMBL2387736

L: Balsalazide
OPRM_MOUSE

Docking Scores:
-7.78 -7.87
Similarity Score:
42.37%
Best Match:
CHEMBL2051964

L: Alfentanil
OPRM_MOUSE

Docking Scores:
-7.85 -7.95
Similarity Score:
54.68%
Best Match:
CHEMBL2311157

L: Carbamoylcholine
OPRM_MOUSE

Docking Scores:
-3.89 -4.15
Similarity Score:
17.76%
Best Match:
CHEMBL2311157

L: Icatibant
OPRX_HUMAN

Docking Scores:
-8.30 -8.42 -8.76
Similarity Score:
60.77%
Best Match:
CHEMBL507269

L: Nefazodone
OPRX_HUMAN

Docking Scores:
-8.00 -8.05 -7.71
Similarity Score:
42.58%
Best Match:
CHEMBL260555

L: Balsalazide
OPRX_HUMAN

Docking Scores:
-7.58 -7.19 -8.06
Similarity Score:
37.60%
Best Match:
CHEMBL233493

L: Alfentanil
OPRX_HUMAN

Docking Scores:
-6.99 -6.94 -7.15
Similarity Score:
54.68%
Best Match:
CHEMBL28198

L: Carbamoylcholine
OPRX_HUMAN

Docking Scores:
-3.88 -3.97 -4.03
Similarity Score:
21.37%
Best Match:
CHEMBL381287

L: Icatibant
P2RX3_HUMAN

Docking Scores:
-6.37 -6.29 -5.18
Similarity Score:
44.29%
Best Match:
CHEMBL397926

L: Nefazodone
P2RX3_HUMAN

Docking Scores:
-6.37 -6.37 -5.43
Similarity Score:
40.38%
Best Match:
CHEMBL3957828

L: Balsalazide
P2RX3_HUMAN

Docking Scores:
-6.29 -5.97 -5.99
Similarity Score:
38.64%
Best Match:
CHEMBL2376118

L: Alfentanil
P2RX3_HUMAN

Docking Scores:
-5.65 -5.35 -5.29
Similarity Score:
38.89%
Best Match:
CHEMBL3669852

L: Carbamoylcholine
P2RX3_HUMAN

Docking Scores:
-3.51 -3.39 -3.42
Similarity Score:
13.38%
Best Match:
CHEMBL3669852

L: Icatibant
P2Y12_HUMAN

Docking Scores:
-8.21 ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
P2Y12_HUMAN

Docking Scores:
-9.34 -8.67 -9.59
Similarity Score:
29.88%
Best Match:
CHEMBL3325894

L: Balsalazide
P2Y12_HUMAN

Docking Scores:
-9.68 -7.71 -9.17
Similarity Score:
31.37%
Best Match:
CHEMBL599606

L: Alfentanil
P2Y12_HUMAN

Docking Scores:
-7.13 -2.60 -7.01
Similarity Score:
36.52%
Best Match:
CHEMBL90804

L: Carbamoylcholine
P2Y12_HUMAN

Docking Scores:
-4.07 -4.41 -4.70
Similarity Score:
15.65%
Best Match:
CHEMBL599606

L: Icatibant
PAR1_HUMAN

Docking Scores:
-7.51
Similarity Score:
54.29%
Best Match:
CHEMBL4065100

L: Nefazodone
PAR1_HUMAN

Docking Scores:
-10.17
Similarity Score:
31.42%
Best Match:
CHEMBL3704471

L: Balsalazide
PAR1_HUMAN

Docking Scores:
-8.51
Similarity Score:
38.16%
Best Match:
CHEMBL80623

L: Alfentanil
PAR1_HUMAN

Docking Scores:
-5.97
Similarity Score:
43.33%
Best Match:
CHEMBL3658403

L: Carbamoylcholine
PAR1_HUMAN

Docking Scores:
-4.24
Similarity Score:
20.49%
Best Match:
CHEMBL3658412

L: Icatibant
PDE4B_HUMAN

Docking Scores:
-7.93 -9.76 -2.29
Similarity Score:
36.65%
Best Match:
CHEMBL36318

L: Nefazodone
PDE4B_HUMAN

Docking Scores:
-8.83 -9.49 -9.49
Similarity Score:
33.33%
Best Match:
CHEMBL3644504

L: Balsalazide
PDE4B_HUMAN

Docking Scores:
-9.11 -8.80 -8.15
Similarity Score:
38.16%
Best Match:
CHEMBL239299

L: Alfentanil
PDE4B_HUMAN

Docking Scores:
-7.59 -8.23 -8.17
Similarity Score:
33.53%
Best Match:
CHEMBL239299

L: Carbamoylcholine
PDE4B_HUMAN

Docking Scores:
-4.30 -4.15 -4.31
Similarity Score:
21.00%
Best Match:
CHEMBL603830

L: Icatibant
PDE5A_HUMAN

Docking Scores:
-7.09 -8.38 -8.22
Similarity Score:
44.15%
Best Match:
CHEMBL335148

L: Nefazodone
PDE5A_HUMAN

Docking Scores:
-8.28 -9.52 -8.67
Similarity Score:
41.63%
Best Match:
CHEMBL46621

L: Balsalazide
PDE5A_HUMAN

Docking Scores:
-9.37 -9.27 -9.14
Similarity Score:
45.68%
Best Match:
CHEMBL35970

L: Alfentanil
PDE5A_HUMAN

Docking Scores:
-7.73 -8.27 -7.70
Similarity Score:
31.00%
Best Match:
CHEMBL551948

L: Carbamoylcholine
PDE5A_HUMAN

Docking Scores:
-4.41 -4.52 -4.35
Similarity Score:
14.15%
Best Match:
CHEMBL363889

L: Icatibant
PERM_HUMAN

Docking Scores:
-2.08 3.65 -8.10
Similarity Score:
26.21%
Best Match:
CHEMBL3740464

L: Nefazodone
PERM_HUMAN

Docking Scores:
-8.05 -8.32 -8.02
Similarity Score:
31.92%
Best Match:
CHEMBL2170247

L: Balsalazide
PERM_HUMAN

Docking Scores:
-8.09 -8.43 -7.78
Similarity Score:
37.98%
Best Match:
CHEMBL86

L: Alfentanil
PERM_HUMAN

Docking Scores:
-7.35 -7.35 -7.05
Similarity Score:
31.06%
Best Match:
CHEMBL1409565

L: Carbamoylcholine
PERM_HUMAN

Docking Scores:
-4.58 -4.72 -3.99
Similarity Score:
14.08%
Best Match:
CHEMBL686

L: Icatibant
PGH1_SHEEP

Docking Scores:
? ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
PGH1_SHEEP

Docking Scores:
-8.27 -9.04 -8.41
Similarity Score:
28.74%
Best Match:
CHEMBL3331465

L: Balsalazide
PGH1_SHEEP

Docking Scores:
-8.59 -8.52 -9.60
Similarity Score:
42.11%
Best Match:
CHEMBL151441

L: Alfentanil
PGH1_SHEEP

Docking Scores:
-6.34 -7.57 -6.88
Similarity Score:
29.63%
Best Match:
CHEMBL9197

L: Carbamoylcholine
PGH1_SHEEP

Docking Scores:
-4.27 -4.31 -4.30
Similarity Score:
19.59%
Best Match:
CHEMBL3809863

L: Icatibant
PGH2_HUMAN

Docking Scores:
? ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
PGH2_HUMAN

Docking Scores:
-3.07 -7.94 -8.75
Similarity Score:
28.98%
Best Match:
CHEMBL317321

L: Balsalazide
PGH2_HUMAN

Docking Scores:
-5.17 -7.65 -7.97
Similarity Score:
38.28%
Best Match:
CHEMBL122065

L: Alfentanil
PGH2_HUMAN

Docking Scores:
-3.17 -4.71 -6.64
Similarity Score:
31.61%
Best Match:
CHEMBL3809156

L: Carbamoylcholine
PGH2_HUMAN

Docking Scores:
-4.05 -4.28 -4.65
Similarity Score:
22.83%
Best Match:
CHEMBL3808627

L: Icatibant
PPAP_HUMAN

Docking Scores:
-6.30
Similarity Score:
21.11%
Best Match:
CHEMBL501717

L: Nefazodone
PPAP_HUMAN

Docking Scores:
-8.51
Similarity Score:
16.92%
Best Match:
CHEMBL507996

L: Balsalazide
PPAP_HUMAN

Docking Scores:
-8.79
Similarity Score:
24.46%
Best Match:
CHEMBL507996

L: Alfentanil
PPAP_HUMAN

Docking Scores:
-6.85
Similarity Score:
13.45%
Best Match:
CHEMBL507996

L: Carbamoylcholine
PPAP_HUMAN

Docking Scores:
-4.97
Similarity Score:
10.53%
Best Match:
CHEMBL507996

L: Icatibant
PPARG_HUMAN

Docking Scores:
-8.95 5.59 -7.28
Similarity Score:
42.52%
Best Match:
CHEMBL2208197

L: Nefazodone
PPARG_HUMAN

Docking Scores:
-8.65 -10.00 -8.95
Similarity Score:
40.49%
Best Match:
CHEMBL148639

L: Balsalazide
PPARG_HUMAN

Docking Scores:
-8.83 -8.70 -8.33
Similarity Score:
39.29%
Best Match:
CHEMBL2336644

L: Alfentanil
PPARG_HUMAN

Docking Scores:
-7.14 -7.37 -7.57
Similarity Score:
40.46%
Best Match:
CHEMBL177854

L: Carbamoylcholine
PPARG_HUMAN

Docking Scores:
-4.29 -4.36 -4.35
Similarity Score:
25.00%
Best Match:
CHEMBL3786150

L: Icatibant
PRGR_HUMAN

Docking Scores:
? ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
PRGR_HUMAN

Docking Scores:
-6.69 -6.03 -8.97
Similarity Score:
38.02%
Best Match:
CHEMBL552108

L: Balsalazide
PRGR_HUMAN

Docking Scores:
-3.70 -4.11 -6.04
Similarity Score:
33.53%
Best Match:
CHEMBL194812

L: Alfentanil
PRGR_HUMAN

Docking Scores:
-7.26 -6.73 -8.96
Similarity Score:
38.65%
Best Match:
CHEMBL600466

L: Carbamoylcholine
PRGR_HUMAN

Docking Scores:
-4.32 -4.28 -4.99
Similarity Score:
17.31%
Best Match:
CHEMBL500938

L: Icatibant
PTGES_HUMAN

Docking Scores:
-6.79
Similarity Score:
33.21%
Best Match:
CHEMBL3660830

L: Nefazodone
PTGES_HUMAN

Docking Scores:
-8.01
Similarity Score:
33.01%
Best Match:
CHEMBL4078000

L: Balsalazide
PTGES_HUMAN

Docking Scores:
-8.72
Similarity Score:
38.71%
Best Match:
CHEMBL3759709

L: Alfentanil
PTGES_HUMAN

Docking Scores:
-6.83
Similarity Score:
46.75%
Best Match:
CHEMBL3910746

L: Carbamoylcholine
PTGES_HUMAN

Docking Scores:
-4.30
Similarity Score:
14.66%
Best Match:
CHEMBL3926051

L: Icatibant
SC6A4_HUMAN

Docking Scores:
? ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
SC6A4_HUMAN

Docking Scores:
-9.33 -9.60 -9.96
Similarity Score:
100.00%
Best Match:
CHEMBL623

L: Balsalazide
SC6A4_HUMAN

Docking Scores:
-9.39 -8.82 -9.49
Similarity Score:
38.81%
Best Match:
CHEMBL245309

L: Alfentanil
SC6A4_HUMAN

Docking Scores:
-8.85 -8.71 -8.89
Similarity Score:
44.97%
Best Match:
CHEMBL91418

L: Carbamoylcholine
SC6A4_HUMAN

Docking Scores:
-4.45 -4.38 -4.53
Similarity Score:
22.22%
Best Match:
CHEMBL900

L: Icatibant
SCN9A_HUMAN

Docking Scores:
-6.62
Similarity Score:
49.59%
Best Match:
CHEMBL3416887

L: Nefazodone
SCN9A_HUMAN

Docking Scores:
-8.19
Similarity Score:
34.19%
Best Match:
CHEMBL251346

L: Balsalazide
SCN9A_HUMAN

Docking Scores:
-7.98
Similarity Score:
41.84%
Best Match:
CHEMBL3944511

L: Alfentanil
SCN9A_HUMAN

Docking Scores:
-6.44
Similarity Score:
36.45%
Best Match:
CHEMBL2296310

L: Carbamoylcholine
SCN9A_HUMAN

Docking Scores:
-4.78
Similarity Score:
26.03%
Best Match:
CHEMBL698

L: Icatibant
TLR4_HUMAN

Docking Scores:
-8.58 -9.51 -9.11
Similarity Score:
30.87%
Best Match:
CHEMBL382272

L: Nefazodone
TLR4_HUMAN

Docking Scores:
-7.86 -8.68 -8.47
Similarity Score:
27.68%
Best Match:
CHEMBL1223752

L: Balsalazide
TLR4_HUMAN

Docking Scores:
-7.08 -7.34 -8.16
Similarity Score:
26.67%
Best Match:
CHEMBL1223752

L: Alfentanil
TLR4_HUMAN

Docking Scores:
-7.04 -7.27 -7.39
Similarity Score:
35.21%
Best Match:
CHEMBL1223752

L: Carbamoylcholine
TLR4_HUMAN

Docking Scores:
-3.77 -4.22 -4.23
Similarity Score:
18.39%
Best Match:
CHEMBL1223752

L: Icatibant
TNFA_HUMAN

Docking Scores:
-7.43
Similarity Score:
53.92%
Best Match:
CHEMBL3805016

L: Nefazodone
TNFA_HUMAN

Docking Scores:
-8.18
Similarity Score:
34.98%
Best Match:
CHEMBL4110900

L: Balsalazide
TNFA_HUMAN

Docking Scores:
-7.34
Similarity Score:
46.85%
Best Match:
CHEMBL114343

L: Alfentanil
TNFA_HUMAN

Docking Scores:
-7.59
Similarity Score:
32.28%
Best Match:
CHEMBL3806296

L: Carbamoylcholine
TNFA_HUMAN

Docking Scores:
-4.21
Similarity Score:
16.79%
Best Match:
CHEMBL3983488

L: Icatibant
TRBM_HUMAN

Docking Scores:
-7.53 -6.63
Similarity Score:
N/A
Best Match:
N/A

L: Nefazodone
TRBM_HUMAN

Docking Scores:
-8.07 -7.58
Similarity Score:
N/A
Best Match:
N/A

L: Balsalazide
TRBM_HUMAN

Docking Scores:
-8.75 -7.37
Similarity Score:
N/A
Best Match:
N/A

L: Alfentanil
TRBM_HUMAN

Docking Scores:
-7.35 -6.98
Similarity Score:
N/A
Best Match:
N/A

L: Carbamoylcholine
TRBM_HUMAN

Docking Scores:
-4.14 -4.25
Similarity Score:
N/A
Best Match:
N/A

L: Icatibant
TRPM4_HUMAN

Docking Scores:
-8.03 -6.95
Similarity Score:
N/A
Best Match:
N/A

L: Nefazodone
TRPM4_HUMAN

Docking Scores:
-7.94 -7.14
Similarity Score:
N/A
Best Match:
N/A

L: Balsalazide
TRPM4_HUMAN

Docking Scores:
-7.48 -7.64
Similarity Score:
N/A
Best Match:
N/A

L: Alfentanil
TRPM4_HUMAN

Docking Scores:
-6.36 -6.94
Similarity Score:
N/A
Best Match:
N/A

L: Carbamoylcholine
TRPM4_HUMAN

Docking Scores:
-4.37 -4.28
Similarity Score:
N/A
Best Match:
N/A

L: Icatibant
TRPM8_FICAL

Docking Scores:
-4.87
Similarity Score:
N/A
Best Match:
N/A

L: Nefazodone
TRPM8_FICAL

Docking Scores:
-10.49
Similarity Score:
N/A
Best Match:
N/A

L: Balsalazide
TRPM8_FICAL

Docking Scores:
-9.20
Similarity Score:
N/A
Best Match:
N/A

L: Alfentanil
TRPM8_FICAL

Docking Scores:
-8.73
Similarity Score:
N/A
Best Match:
N/A

L: Carbamoylcholine
TRPM8_FICAL

Docking Scores:
-4.33
Similarity Score:
N/A
Best Match:
N/A

L: Icatibant
TRPV1_RAT

Docking Scores:
-6.96
Similarity Score:
49.48%
Best Match:
CHEMBL430173

L: Nefazodone
TRPV1_RAT

Docking Scores:
-8.37
Similarity Score:
31.92%
Best Match:
CHEMBL3114908

L: Balsalazide
TRPV1_RAT

Docking Scores:
-9.23
Similarity Score:
39.13%
Best Match:
CHEMBL1779679

L: Alfentanil
TRPV1_RAT

Docking Scores:
-7.72
Similarity Score:
30.61%
Best Match:
CHEMBL1395445

L: Carbamoylcholine
TRPV1_RAT

Docking Scores:
-4.61
Similarity Score:
18.10%
Best Match:
CHEMBL2029639

L: Icatibant
TRPV2_RABIT

Docking Scores:
-9.63 -6.70
Similarity Score:
N/A
Best Match:
N/A

L: Nefazodone
TRPV2_RABIT

Docking Scores:
-8.13 -8.46
Similarity Score:
N/A
Best Match:
N/A

L: Balsalazide
TRPV2_RABIT

Docking Scores:
-8.00 -8.33
Similarity Score:
N/A
Best Match:
N/A

L: Alfentanil
TRPV2_RABIT

Docking Scores:
-6.88 -7.86
Similarity Score:
N/A
Best Match:
N/A

L: Carbamoylcholine
TRPV2_RABIT

Docking Scores:
-4.81 -4.71
Similarity Score:
N/A
Best Match:
N/A

L: Icatibant
TRPV3_HUMAN

Docking Scores:
-6.54 -5.30
Similarity Score:
34.44%
Best Match:
CHEMBL3696387

L: Nefazodone
TRPV3_HUMAN

Docking Scores:
-6.70 -7.82
Similarity Score:
25.91%
Best Match:
CHEMBL3664218

L: Balsalazide
TRPV3_HUMAN

Docking Scores:
-6.14 -7.60
Similarity Score:
31.79%
Best Match:
CHEMBL3692228

L: Alfentanil
TRPV3_HUMAN

Docking Scores:
-6.96 -6.64
Similarity Score:
26.06%
Best Match:
CHEMBL3692258

L: Carbamoylcholine
TRPV3_HUMAN

Docking Scores:
-3.25 -4.01
Similarity Score:
18.06%
Best Match:
CHEMBL73188

L: Icatibant
TRXR1_HUMAN

Docking Scores:
-0.91 -8.73 -7.95
Similarity Score:
N/A
Best Match:
N/A

L: Nefazodone
TRXR1_HUMAN

Docking Scores:
-7.82 -8.03 -6.36
Similarity Score:
N/A
Best Match:
N/A

L: Balsalazide
TRXR1_HUMAN

Docking Scores:
-7.16 -8.84 -6.61
Similarity Score:
N/A
Best Match:
N/A

L: Alfentanil
TRXR1_HUMAN

Docking Scores:
-7.66 -7.69 -6.21
Similarity Score:
N/A
Best Match:
N/A

L: Carbamoylcholine
TRXR1_HUMAN

Docking Scores:
-4.57 -4.84 -3.64
Similarity Score:
N/A
Best Match:
N/A

L: Icatibant
TRY1_HUMAN

Docking Scores:
-6.68
Similarity Score:
62.86%
Best Match:
CHEMBL2370424

L: Nefazodone
TRY1_HUMAN

Docking Scores:
-6.93
Similarity Score:
35.16%
Best Match:
CHEMBL2373348

L: Balsalazide
TRY1_HUMAN

Docking Scores:
-6.83
Similarity Score:
54.46%
Best Match:
CHEMBL134268

L: Alfentanil
TRY1_HUMAN

Docking Scores:
-6.36
Similarity Score:
37.11%
Best Match:
CHEMBL421370

L: Carbamoylcholine
TRY1_HUMAN

Docking Scores:
-4.23
Similarity Score:
18.92%
Best Match:
CHEMBL134268