dd106 #291 Output - PAIN-CKB

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dd106 #291 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

5HT1B_HUMAN

Docking Scores:
-8.04 -8.44 -8.17
Similarity Score:
48.28%
Best Match:
CHEMBL344127

5HT2A_HUMAN

Docking Scores:
-7.83 -8.29
Similarity Score:
48.72%
Best Match:
CHEMBL360968

5HT2B_HUMAN

Docking Scores:
-8.04 -8.81 -7.97
Similarity Score:
48.72%
Best Match:
CHEMBL415029

5HT2C_HUMAN

Docking Scores:
-8.44 -8.55
Similarity Score:
50.47%
Best Match:
CHEMBL138807

AA1R_HUMAN

Docking Scores:
-8.27 -7.49 -4.87
Similarity Score:
36.76%
Best Match:
CHEMBL440115

AA2AR_HUMAN

Docking Scores:
-6.94 -7.35 -7.11
Similarity Score:
33.59%
Best Match:
CHEMBL2042091

ACES_HUMAN

Docking Scores:
-7.69 -8.27 -7.42
Similarity Score:
52.89%
Best Match:
CHEMBL3905695

ACE_HUMAN

Docking Scores:
-7.66 -8.00 2.38
Similarity Score:
36.91%
Best Match:
CHEMBL254703

ACHA9_HUMAN

Docking Scores:
-6.00
Similarity Score:
23.44%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
1.94 -2.64 -5.93
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-8.12 7.20
Similarity Score:
50.00%
Best Match:
CHEMBL1426275

ACM4_HUMAN

Docking Scores:
-8.74 -7.59
Similarity Score:
41.67%
Best Match:
CHEMBL83

ADRB2_HUMAN

Docking Scores:
-8.00 -8.23 -8.86
Similarity Score:
48.65%
Best Match:
CHEMBL12876

AGTR2_HUMAN

Docking Scores:
-7.58 -7.33 -7.33
Similarity Score:
29.83%
Best Match:
CHEMBL155987

ALDR_HUMAN

Docking Scores:
-7.20 -6.98 -6.95
Similarity Score:
39.38%
Best Match:
CHEMBL3936476

AMPN_HUMAN

Docking Scores:
-7.84 -7.64 -6.79
Similarity Score:
35.71%
Best Match:
CHEMBL3806197

AOFA_HUMAN

Docking Scores:
-9.30 -8.85 -7.08
Similarity Score:
47.27%
Best Match:
CHEMBL3415801

AOFB_HUMAN

Docking Scores:
-7.81 -9.74 -8.11
Similarity Score:
51.59%
Best Match:
CHEMBL2203919

BACE1_HUMAN

Docking Scores:
-6.44 -6.80 -7.55
Similarity Score:
39.10%
Best Match:
CHEMBL2158252

CAH2_HUMAN

Docking Scores:
-6.37 -6.00 -5.53
Similarity Score:
45.26%
Best Match:
CHEMBL4072219

CASP1_HUMAN

Docking Scores:
-4.89 -6.59 -6.08
Similarity Score:
45.86%
Best Match:
CHEMBL115823

CDK5_HUMAN

Docking Scores:
-5.54 -6.48 -6.91
Similarity Score:
38.51%
Best Match:
CHEMBL2002649

CHLE_HUMAN

Docking Scores:
-7.57 -7.56 -7.95
Similarity Score:
52.89%
Best Match:
CHEMBL3905695

CNR1_HUMAN

Docking Scores:
-8.14 -8.04 -6.89
Similarity Score:
40.50%
Best Match:
CHEMBL478210

CNR2_HUMAN

Docking Scores:
-9.07 -8.91
Similarity Score:
66.12%
Best Match:
CHEMBL3410833

COLI_HUMAN

Docking Scores:
-7.88 -7.75 -6.72
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-5.42 -4.87 -5.84
Similarity Score:
38.51%
Best Match:
CHEMBL953

CRP_HUMAN

Docking Scores:
-4.87 -4.58
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
9.45
Similarity Score:
27.40%
Best Match:
CHEMBL490688

CXCR4_HUMAN

Docking Scores:
-6.96 -5.76 -6.22
Similarity Score:
35.88%
Best Match:
CHEMBL126657

DRD2_HUMAN

Docking Scores:
-7.22
Similarity Score:
52.21%
Best Match:
CHEMBL87600

DRD3_HUMAN

Docking Scores:
-7.60
Similarity Score:
52.21%
Best Match:
CHEMBL87600

DRD4_HUMAN

Docking Scores:
-7.74 -7.77
Similarity Score:
46.46%
Best Match:
CHEMBL3590080

EDN1_HUMAN

Docking Scores:
-6.87
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-8.11 -7.32 -7.24
Similarity Score:
56.56%
Best Match:
CHEMBL4078577

FABP5_HUMAN

Docking Scores:
-6.20 -4.78 -6.22
Similarity Score:
26.35%
Best Match:
CHEMBL212860

FYN_HUMAN

Docking Scores:
-7.61
Similarity Score:
33.54%
Best Match:
CHEMBL1986590

GLRA3_HUMAN

Docking Scores:
-7.12 -7.28 -7.32
Similarity Score:
21.25%
Best Match:
CHEMBL4070615

GLRA3_HUMAN

Docking Scores:
-8.22
Similarity Score:
21.25%
Best Match:
CHEMBL4070615

GRM5_HUMAN

Docking Scores:
-6.94 -0.97 -3.72
Similarity Score:
31.85%
Best Match:
CHEMBL2151818

HPGDS_HUMAN

Docking Scores:
-6.97 -5.98 -7.14
Similarity Score:
26.67%
Best Match:
CHEMBL3698263

HRH1_HUMAN

Docking Scores:
-5.96
Similarity Score:
50.74%
Best Match:
CHEMBL292275

HYES_HUMAN

Docking Scores:
-8.51 -8.45 -6.99
Similarity Score:
45.67%
Best Match:
CHEMBL3114594

IKKB_HUMAN

Docking Scores:
-7.33
Similarity Score:
39.37%
Best Match:
CHEMBL485008

MDR1_HUMAN

Docking Scores:
-7.10 -8.39
Similarity Score:
50.94%
Best Match:
CHEMBL3601682

MIF_HUMAN

Docking Scores:
-3.42 -7.30 -5.75
Similarity Score:
28.30%
Best Match:
CHEMBL3797437

MK01_HUMAN

Docking Scores:
-7.06 -7.27 -6.67
Similarity Score:
38.51%
Best Match:
CHEMBL2002649

MK03_HUMAN

Docking Scores:
-6.89 -8.74 -7.01
Similarity Score:
30.88%
Best Match:
CHEMBL3577644

MTOR_HUMAN

Docking Scores:
-8.24 -8.52 -8.81
Similarity Score:
30.95%
Best Match:
CHEMBL1090131

NEP_HUMAN

Docking Scores:
-7.78 -6.74 -8.14
Similarity Score:
41.27%
Best Match:
CHEMBL81232

NK1R_HUMAN

Docking Scores:
-8.01 -7.62 -7.42
Similarity Score:
37.89%
Best Match:
CHEMBL1951623

NMDE1_HUMAN

Docking Scores:
-8.82 -8.54 -7.75
Similarity Score:
21.83%
Best Match:
CHEMBL284237

NMDE2_HUMAN

Docking Scores:
-8.98 -8.23 -8.56
Similarity Score:
35.38%
Best Match:
CHEMBL48029

NMDZ1_HUMAN

Docking Scores:
-7.93 -7.67 -7.75
Similarity Score:
20.66%
Best Match:
CHEMBL248446

NOS1_HUMAN

Docking Scores:
-6.68 -7.78 -7.26
Similarity Score:
29.22%
Best Match:
CHEMBL4099944

NOS2_HUMAN

Docking Scores:
-3.94 -7.40 6.50
Similarity Score:
39.42%
Best Match:
CHEMBL1762471

NTRK1_HUMAN

Docking Scores:
-8.32 -7.79 -8.56
Similarity Score:
40.61%
Best Match:
CHEMBL1997275

OPRD_HUMAN

Docking Scores:
-5.61 -6.24 -6.06
Similarity Score:
47.28%
Best Match:
CHEMBL2113302

OPRK_HUMAN

Docking Scores:
-9.19 -8.06 -7.94
Similarity Score:
47.28%
Best Match:
CHEMBL2113302

OPRM_MOUSE

Docking Scores:
-6.71 -6.69
Similarity Score:
39.43%
Best Match:
CHEMBL2057693

OPRX_HUMAN

Docking Scores:
-6.65 -6.67 -6.82
Similarity Score:
41.35%
Best Match:
CHEMBL425225

P2RX3_HUMAN

Docking Scores:
-4.71 -5.04 -4.77
Similarity Score:
31.31%
Best Match:
CHEMBL4111666

P2Y12_HUMAN

Docking Scores:
-7.45 -5.03 -6.47
Similarity Score:
28.19%
Best Match:
CHEMBL585306

PAR1_HUMAN

Docking Scores:
-7.51
Similarity Score:
41.34%
Best Match:
CHEMBL3143251

PDE4B_HUMAN

Docking Scores:
-7.81 -7.78 -7.75
Similarity Score:
41.35%
Best Match:
CHEMBL287687

PDE5A_HUMAN

Docking Scores:
-7.19 -7.98 -8.17
Similarity Score:
33.67%
Best Match:
CHEMBL158374

PERM_HUMAN

Docking Scores:
-6.40 -6.82 -6.43
Similarity Score:
33.33%
Best Match:
CHEMBL490

PGH1_SHEEP

Docking Scores:
-4.96 -4.28 -7.37
Similarity Score:
44.19%
Best Match:
CHEMBL3357105

PGH2_HUMAN

Docking Scores:
4.86 -5.65 -6.86
Similarity Score:
51.82%
Best Match:
CHEMBL3233601

PPAP_HUMAN

Docking Scores:
-6.38
Similarity Score:
26.57%
Best Match:
CHEMBL507996

PPARG_HUMAN

Docking Scores:
-7.86 -8.05 -8.51
Similarity Score:
60.00%
Best Match:
CHEMBL3355872

PRGR_HUMAN

Docking Scores:
0.14 1.90 -4.86
Similarity Score:
43.50%
Best Match:
CHEMBL2419296

PTGES_HUMAN

Docking Scores:
-6.30
Similarity Score:
36.17%
Best Match:
CHEMBL3754065

SC6A4_HUMAN

Docking Scores:
-9.28 -8.62 -8.76
Similarity Score:
44.80%
Best Match:
CHEMBL391193

SCN9A_HUMAN

Docking Scores:
-7.58
Similarity Score:
37.75%
Best Match:
CHEMBL3632641

TLR4_HUMAN

Docking Scores:
-6.63 -6.64 -7.54
Similarity Score:
29.07%
Best Match:
CHEMBL1824677

TNFA_HUMAN

Docking Scores:
-6.85
Similarity Score:
36.00%
Best Match:
CHEMBL72511

TRBM_HUMAN

Docking Scores:
-5.90 -5.63
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

Docking Scores:
-6.52 -5.18
Similarity Score:
N/A
Best Match:
N/A

TRPM8_FICAL

Docking Scores:
-8.32
Similarity Score:
N/A
Best Match:
N/A

TRPV1_RAT

Docking Scores:
-7.69
Similarity Score:
46.98%
Best Match:
CHEMBL1276940

TRPV2_RABIT

Docking Scores:
-7.12 -7.15
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-5.58 -5.07
Similarity Score:
27.78%
Best Match:
CHEMBL3664218

TRXR1_HUMAN

Docking Scores:
-7.23 -6.41 -5.28
Similarity Score:
N/A
Best Match:
N/A

TRY1_HUMAN

Docking Scores:
-6.12
Similarity Score:
43.42%
Best Match:
CHEMBL85154