CHEMBL1998112 #355 Output - PAIN-CKB

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CHEMBL1998112 #355 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

5HT1B_HUMAN

Docking Scores:
-10.43 -10.46 -9.26
Similarity Score:
38.35%
Best Match:
CHEMBL321562

5HT2A_HUMAN

Docking Scores:
-9.54 -9.42
Similarity Score:
47.37%
Best Match:
CHEMBL941

5HT2B_HUMAN

Docking Scores:
-10.02 -9.78 -9.92
Similarity Score:
49.12%
Best Match:
CHEMBL1829959

5HT2C_HUMAN

Docking Scores:
-9.08 -9.07
Similarity Score:
39.80%
Best Match:
CHEMBL115769

AA1R_HUMAN

Docking Scores:
-9.49 -9.17 -7.53
Similarity Score:
57.83%
Best Match:
CHEMBL1650173

AA2AR_HUMAN

Docking Scores:
-9.09 -9.30 -10.35
Similarity Score:
55.13%
Best Match:
CHEMBL406714

ACES_HUMAN

Docking Scores:
-9.89 -10.73 -10.10
Similarity Score:
48.56%
Best Match:
CHEMBL1085028

ACE_HUMAN

Docking Scores:
-8.87 -8.80 -5.81
Similarity Score:
30.43%
Best Match:
CHEMBL1242210

ACHA9_HUMAN

Docking Scores:
-7.15
Similarity Score:
19.60%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
-5.06 -7.99 -4.02
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-8.32 1.06
Similarity Score:
36.11%
Best Match:
CHEMBL3747781

ACM4_HUMAN

Docking Scores:
-8.49 -7.50
Similarity Score:
33.50%
Best Match:
CHEMBL296419

ADRB2_HUMAN

Docking Scores:
-8.60 -8.67 -9.94
Similarity Score:
43.75%
Best Match:
CHEMBL1406272

AGTR2_HUMAN

Docking Scores:
-9.09 -9.16 -9.01
Similarity Score:
37.04%
Best Match:
CHEMBL2435824

ALDR_HUMAN

Docking Scores:
-9.01 -9.56 -8.41
Similarity Score:
29.02%
Best Match:
CHEMBL1169757

AMPN_HUMAN

Docking Scores:
-9.20 -9.61 -9.36
Similarity Score:
28.40%
Best Match:
CHEMBL1798007

AOFA_HUMAN

Docking Scores:
-9.64 -8.67 -9.16
Similarity Score:
42.08%
Best Match:
CHEMBL1258955

AOFB_HUMAN

Docking Scores:
-10.14 -6.86 -9.30
Similarity Score:
37.97%
Best Match:
CHEMBL2408565

BACE1_HUMAN

Docking Scores:
-7.70 -8.64 -9.14
Similarity Score:
41.86%
Best Match:
CHEMBL1241481

CAH2_HUMAN

Docking Scores:
-7.79 -8.76 -9.09
Similarity Score:
47.37%
Best Match:
CHEMBL941

CASP1_HUMAN

Docking Scores:
-7.14 -8.97 -7.13
Similarity Score:
38.83%
Best Match:
CHEMBL202025

CDK5_HUMAN

Docking Scores:
-8.88 -9.15 -7.55
Similarity Score:
85.89%
Best Match:
CHEMBL1190711

CHLE_HUMAN

Docking Scores:
-10.11 -9.62 -9.83
Similarity Score:
34.10%
Best Match:
CHEMBL219262

CNR1_HUMAN

Docking Scores:
-7.88 -9.52 -10.12
Similarity Score:
41.99%
Best Match:
CHEMBL4105029

CNR2_HUMAN

Docking Scores:
-10.23 -9.82
Similarity Score:
44.32%
Best Match:
CHEMBL387654

COLI_HUMAN

Docking Scores:
-9.55 -8.85 -9.54
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-6.65 -6.45 -6.96
Similarity Score:
30.57%
Best Match:
CHEMBL3798524

CRP_HUMAN

Docking Scores:
-6.81 -7.12
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
1.51
Similarity Score:
33.15%
Best Match:
CHEMBL3609011

CXCR4_HUMAN

Docking Scores:
-9.14 -8.14 -8.59
Similarity Score:
32.68%
Best Match:
CHEMBL1802329

DRD2_HUMAN

Docking Scores:
-9.22
Similarity Score:
41.67%
Best Match:
CHEMBL231078

DRD3_HUMAN

Docking Scores:
-8.82
Similarity Score:
41.67%
Best Match:
CHEMBL231078

DRD4_HUMAN

Docking Scores:
-9.66 -9.81
Similarity Score:
41.58%
Best Match:
CHEMBL563109

EDN1_HUMAN

Docking Scores:
-8.61
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-7.80 -9.42 -8.44
Similarity Score:
40.78%
Best Match:
CHEMBL59184

FABP5_HUMAN

Docking Scores:
-10.16 -6.28 -6.32
Similarity Score:
38.58%
Best Match:
CHEMBL3941588

FYN_HUMAN

Docking Scores:
-9.95
Similarity Score:
50.54%
Best Match:
CHEMBL1241473

GLRA3_HUMAN

Docking Scores:
-9.18 -9.29 -9.18
Similarity Score:
23.88%
Best Match:
CHEMBL4070615

GLRA3_HUMAN

Docking Scores:
-9.50
Similarity Score:
23.88%
Best Match:
CHEMBL4070615

GRM5_HUMAN

Docking Scores:
-6.95 -10.35 -9.94
Similarity Score:
42.55%
Best Match:
CHEMBL2408571

HPGDS_HUMAN

Docking Scores:
-8.37 -7.71 -8.24
Similarity Score:
36.68%
Best Match:
CHEMBL264951

HRH1_HUMAN

Docking Scores:
-7.94
Similarity Score:
40.38%
Best Match:
CHEMBL3752885

HYES_HUMAN

Docking Scores:
-8.66 -9.49 -8.55
Similarity Score:
46.19%
Best Match:
CHEMBL2336313

IKKB_HUMAN

Docking Scores:
-9.80
Similarity Score:
58.86%
Best Match:
CHEMBL1082511

MDR1_HUMAN

Docking Scores:
-8.71 -9.17
Similarity Score:
46.08%
Best Match:
CHEMBL2135037

MIF_HUMAN

Docking Scores:
-7.04 -9.10 -6.30
Similarity Score:
29.54%
Best Match:
CHEMBL3917143

MK01_HUMAN

Docking Scores:
-9.61 -8.68 -8.19
Similarity Score:
85.89%
Best Match:
CHEMBL1190711

MK03_HUMAN

Docking Scores:
-8.55 -9.41 -8.52
Similarity Score:
38.64%
Best Match:
CHEMBL3544964

MTOR_HUMAN

Docking Scores:
-9.45 -9.76 -9.51
Similarity Score:
57.06%
Best Match:
CHEMBL565428

NEP_HUMAN

Docking Scores:
-8.84 -7.90 -9.04
Similarity Score:
35.27%
Best Match:
CHEMBL34369

NK1R_HUMAN

Docking Scores:
-8.90 -9.03 -9.11
Similarity Score:
41.00%
Best Match:
CHEMBL205829

NMDE1_HUMAN

Docking Scores:
-8.18 -8.38 -8.40
Similarity Score:
20.90%
Best Match:
CHEMBL2333945

NMDE2_HUMAN

Docking Scores:
-9.18 -10.19 -10.40
Similarity Score:
32.96%
Best Match:
CHEMBL217904

NMDZ1_HUMAN

Docking Scores:
-9.02 -8.28 -8.40
Similarity Score:
30.08%
Best Match:
CHEMBL162577

NOS1_HUMAN

Docking Scores:
-9.30 -9.17 -9.07
Similarity Score:
39.56%
Best Match:
CHEMBL185247

NOS2_HUMAN

Docking Scores:
-8.51 -8.86 -6.76
Similarity Score:
43.91%
Best Match:
CHEMBL220064

NTRK1_HUMAN

Docking Scores:
-9.94 -9.77 -9.39
Similarity Score:
53.75%
Best Match:
CHEMBL2004515

OPRD_HUMAN

Docking Scores:
-8.02 -7.63 -7.76
Similarity Score:
38.46%
Best Match:
CHEMBL212368

OPRK_HUMAN

Docking Scores:
-10.24 -9.47 -9.52
Similarity Score:
35.61%
Best Match:
CHEMBL1784685

OPRM_MOUSE

Docking Scores:
-9.67 -8.15
Similarity Score:
35.78%
Best Match:
CHEMBL605510

OPRX_HUMAN

Docking Scores:
-7.95 -8.08 -8.72
Similarity Score:
35.61%
Best Match:
CHEMBL1784685

P2RX3_HUMAN

Docking Scores:
-6.73 -6.67 -6.92
Similarity Score:
40.83%
Best Match:
CHEMBL3091627

P2Y12_HUMAN

Docking Scores:
-8.34 -7.67 -9.49
Similarity Score:
36.09%
Best Match:
CHEMBL3322631

PAR1_HUMAN

Docking Scores:
-8.13
Similarity Score:
31.70%
Best Match:
CHEMBL110998

PDE4B_HUMAN

Docking Scores:
-8.83 -9.54 -10.21
Similarity Score:
46.74%
Best Match:
CHEMBL1782296

PDE5A_HUMAN

Docking Scores:
-10.01 -9.72 -9.18
Similarity Score:
42.86%
Best Match:
CHEMBL541845

PERM_HUMAN

Docking Scores:
-9.10 -8.99 -8.55
Similarity Score:
37.95%
Best Match:
CHEMBL581893

PGH1_SHEEP

Docking Scores:
-7.75 -8.70 -8.95
Similarity Score:
35.24%
Best Match:
CHEMBL368682

PGH2_HUMAN

Docking Scores:
-7.04 -7.19 -7.38
Similarity Score:
44.89%
Best Match:
CHEMBL561950

PPAP_HUMAN

Docking Scores:
-8.45
Similarity Score:
19.35%
Best Match:
CHEMBL507996

PPARG_HUMAN

Docking Scores:
-9.80 -9.59 -10.00
Similarity Score:
44.04%
Best Match:
CHEMBL4078107

PRGR_HUMAN

Docking Scores:
0.35 2.79 -8.24
Similarity Score:
35.50%
Best Match:
CHEMBL3337731

PTGES_HUMAN

Docking Scores:
-7.48
Similarity Score:
44.69%
Best Match:
CHEMBL2336518

SC6A4_HUMAN

Docking Scores:
-9.95 -10.12 -9.81
Similarity Score:
47.37%
Best Match:
CHEMBL941

SCN9A_HUMAN

Docking Scores:
-8.62
Similarity Score:
51.55%
Best Match:
CHEMBL3983452

TLR4_HUMAN

Docking Scores:
-8.00 -8.12 -8.54
Similarity Score:
27.67%
Best Match:
CHEMBL1824677

TNFA_HUMAN

Docking Scores:
-8.38
Similarity Score:
33.33%
Best Match:
CHEMBL110421

TRBM_HUMAN

Docking Scores:
-8.23 -7.98
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

Docking Scores:
-8.75 -7.49
Similarity Score:
N/A
Best Match:
N/A

TRPM8_FICAL

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

TRPV1_RAT

Docking Scores:
-8.90
Similarity Score:
49.44%
Best Match:
CHEMBL227364

TRPV2_RABIT

Docking Scores:
-8.19 -8.26
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-7.46 -7.60
Similarity Score:
32.00%
Best Match:
CHEMBL3696471

TRXR1_HUMAN

Docking Scores:
-9.33 -10.17 -7.12
Similarity Score:
N/A
Best Match:
N/A

TRY1_HUMAN

Docking Scores:
-6.83
Similarity Score:
37.58%
Best Match:
CHEMBL104505