Jin's drug 01 #272 Output - PAIN-CKB

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Jin's drug 01 #272 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

5HT1B_HUMAN

Docking Scores:
-9.75 -9.63 -9.81
Similarity Score:
39.01%
Best Match:
CHEMBL485427

5HT2A_HUMAN

Docking Scores:
-10.70 -9.48
Similarity Score:
47.37%
Best Match:
CHEMBL4084262

5HT2B_HUMAN

Docking Scores:
-9.51 -9.73 -9.88
Similarity Score:
35.21%
Best Match:
CHEMBL1201216

5HT2C_HUMAN

Docking Scores:
-9.80 -10.03
Similarity Score:
47.37%
Best Match:
CHEMBL4084262

AA1R_HUMAN

Docking Scores:
-8.84 -8.40 -8.67
Similarity Score:
35.09%
Best Match:
CHEMBL3317560

AA2AR_HUMAN

Docking Scores:
-8.97 -9.18 -8.97
Similarity Score:
37.95%
Best Match:
CHEMBL2070717

ACES_HUMAN

Docking Scores:
-10.60 -9.60 -9.15
Similarity Score:
37.73%
Best Match:
CHEMBL432376

ACE_HUMAN

Docking Scores:
-9.09 -8.72 -7.26
Similarity Score:
35.42%
Best Match:
CHEMBL301751

ACHA9_HUMAN

Docking Scores:
-6.67
Similarity Score:
24.07%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
-6.07 -5.88 -6.49
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-9.73 1.55
Similarity Score:
45.00%
Best Match:
CHEMBL3912801

ACM4_HUMAN

Docking Scores:
-9.50 -8.34
Similarity Score:
40.32%
Best Match:
CHEMBL244946

ADRB2_HUMAN

Docking Scores:
-8.74 -9.20 -10.21
Similarity Score:
50.25%
Best Match:
CHEMBL1586182

AGTR2_HUMAN

Docking Scores:
-9.33 -10.02 -9.34
Similarity Score:
32.45%
Best Match:
CHEMBL348126

ALDR_HUMAN

Docking Scores:
-9.34 -9.90 -9.96
Similarity Score:
32.30%
Best Match:
CHEMBL342974

AMPN_HUMAN

Docking Scores:
-8.87 -9.47 -8.37
Similarity Score:
32.40%
Best Match:
CHEMBL1798008

AOFA_HUMAN

Docking Scores:
-9.79 -9.80 -10.73
Similarity Score:
33.18%
Best Match:
CHEMBL3407586

AOFB_HUMAN

Docking Scores:
-10.99 -10.67 -10.61
Similarity Score:
32.72%
Best Match:
CHEMBL3407581

BACE1_HUMAN

Docking Scores:
-7.54 -7.69 -8.22
Similarity Score:
35.82%
Best Match:
CHEMBL3896157

CAH2_HUMAN

Docking Scores:
-8.22 -8.33 -8.17
Similarity Score:
41.63%
Best Match:
CHEMBL3337996

CASP1_HUMAN

Docking Scores:
-6.86 -7.48 -7.39
Similarity Score:
30.56%
Best Match:
CHEMBL25864

CDK5_HUMAN

Docking Scores:
-8.45 -8.75 -8.40
Similarity Score:
36.14%
Best Match:
CHEMBL2002613

CHLE_HUMAN

Docking Scores:
-9.47 -10.07 -10.11
Similarity Score:
36.05%
Best Match:
CHEMBL388615

CNR1_HUMAN

Docking Scores:
-9.50 -9.73 -10.58
Similarity Score:
41.06%
Best Match:
CHEMBL560463

CNR2_HUMAN

Docking Scores:
-10.64 -10.47
Similarity Score:
55.20%
Best Match:
CHEMBL496781

COLI_HUMAN

Docking Scores:
-8.91 -8.86 -9.03
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-6.71 -6.34 -6.58
Similarity Score:
32.03%
Best Match:
CHEMBL3425739

CRP_HUMAN

Docking Scores:
-5.95 -6.01
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
-3.80
Similarity Score:
30.83%
Best Match:
CHEMBL3426944

CXCR4_HUMAN

Docking Scores:
-9.19 -8.49 -8.37
Similarity Score:
34.47%
Best Match:
CHEMBL1644072

DRD2_HUMAN

Docking Scores:
-8.10
Similarity Score:
45.00%
Best Match:
CHEMBL3912801

DRD3_HUMAN

Docking Scores:
-9.10
Similarity Score:
47.37%
Best Match:
CHEMBL4084262

DRD4_HUMAN

Docking Scores:
-10.66 -10.70
Similarity Score:
38.91%
Best Match:
CHEMBL220754

EDN1_HUMAN

Docking Scores:
-9.52
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-9.25 -8.86 -9.05
Similarity Score:
33.71%
Best Match:
CHEMBL240438

FABP5_HUMAN

Docking Scores:
-9.56 -6.51 -6.70
Similarity Score:
27.54%
Best Match:
CHEMBL247920

FYN_HUMAN

Docking Scores:
-9.32
Similarity Score:
35.57%
Best Match:
CHEMBL1991078

GLRA3_HUMAN

Docking Scores:
-8.86 -9.61 -9.69
Similarity Score:
25.60%
Best Match:
CHEMBL4070615

GLRA3_HUMAN

Docking Scores:
-9.93
Similarity Score:
25.60%
Best Match:
CHEMBL4070615

GRM5_HUMAN

Docking Scores:
-6.98 -6.62 -7.17
Similarity Score:
34.24%
Best Match:
CHEMBL3633976

HPGDS_HUMAN

Docking Scores:
-8.73 -8.26 -8.35
Similarity Score:
35.81%
Best Match:
CHEMBL3650205

HRH1_HUMAN

Docking Scores:
-9.47
Similarity Score:
46.27%
Best Match:
CHEMBL271066

HYES_HUMAN

Docking Scores:
-8.61 -8.38 -8.25
Similarity Score:
35.47%
Best Match:
CHEMBL3677986

IKKB_HUMAN

Docking Scores:
-8.70
Similarity Score:
35.21%
Best Match:
CHEMBL1807620

MDR1_HUMAN

Docking Scores:
-8.39 -8.92
Similarity Score:
36.65%
Best Match:
CHEMBL259690

MIF_HUMAN

Docking Scores:
-5.60 -7.23 -6.47
Similarity Score:
27.38%
Best Match:
CHEMBL3897449

MK01_HUMAN

Docking Scores:
-8.32 -8.47 -8.40
Similarity Score:
37.25%
Best Match:
CHEMBL3968650

MK03_HUMAN

Docking Scores:
-8.42 -9.21 -8.28
Similarity Score:
30.13%
Best Match:
CHEMBL1336

MTOR_HUMAN

Docking Scores:
-10.34 -10.05 -9.76
Similarity Score:
33.12%
Best Match:
CHEMBL1091706

NEP_HUMAN

Docking Scores:
-7.98 -7.67 -9.01
Similarity Score:
35.42%
Best Match:
CHEMBL301751

NK1R_HUMAN

Docking Scores:
-9.08 -9.38 -8.99
Similarity Score:
48.37%
Best Match:
CHEMBL361031

NMDE1_HUMAN

Docking Scores:
-9.47 -9.04 -10.30
Similarity Score:
20.19%
Best Match:
CHEMBL284237

NMDE2_HUMAN

Docking Scores:
-10.81 -10.15 -10.53
Similarity Score:
41.58%
Best Match:
CHEMBL146764

NMDZ1_HUMAN

Docking Scores:
-9.82 -8.25 -10.30
Similarity Score:
30.92%
Best Match:
CHEMBL162577

NOS1_HUMAN

Docking Scores:
-9.42 -9.45 -8.63
Similarity Score:
32.30%
Best Match:
CHEMBL3217000

NOS2_HUMAN

Docking Scores:
-8.42 -8.53 -6.61
Similarity Score:
31.73%
Best Match:
CHEMBL1911986

NTRK1_HUMAN

Docking Scores:
-8.81 -8.66 -8.70
Similarity Score:
37.87%
Best Match:
CHEMBL1938736

OPRD_HUMAN

Docking Scores:
-8.73 -7.25 -8.08
Similarity Score:
41.07%
Best Match:
CHEMBL199378

OPRK_HUMAN

Docking Scores:
-9.90 -9.25 -9.85
Similarity Score:
41.07%
Best Match:
CHEMBL199378

OPRM_MOUSE

Docking Scores:
-9.09 -8.63
Similarity Score:
33.92%
Best Match:
CHEMBL2417568

OPRX_HUMAN

Docking Scores:
-8.00 -7.98 -8.20
Similarity Score:
35.00%
Best Match:
CHEMBL3349269

P2RX3_HUMAN

Docking Scores:
-6.94 -6.20 -5.94
Similarity Score:
34.33%
Best Match:
CHEMBL3684612

P2Y12_HUMAN

Docking Scores:
-10.22 -7.50 -9.16
Similarity Score:
31.27%
Best Match:
CHEMBL3326906

PAR1_HUMAN

Docking Scores:
-8.80
Similarity Score:
31.34%
Best Match:
CHEMBL3704471

PDE4B_HUMAN

Docking Scores:
-9.65 -9.61 -9.68
Similarity Score:
37.22%
Best Match:
CHEMBL286291

PDE5A_HUMAN

Docking Scores:
-7.57 -10.12 -9.96
Similarity Score:
36.43%
Best Match:
CHEMBL393913

PERM_HUMAN

Docking Scores:
-8.23 -9.05 -8.27
Similarity Score:
27.07%
Best Match:
CHEMBL3343353

PGH1_SHEEP

Docking Scores:
-8.95 -7.28 -9.80
Similarity Score:
31.74%
Best Match:
CHEMBL1201124

PGH2_HUMAN

Docking Scores:
-3.57 -7.53 -9.45
Similarity Score:
35.69%
Best Match:
CHEMBL317321

PPAP_HUMAN

Docking Scores:
-7.74
Similarity Score:
20.00%
Best Match:
CHEMBL507996

PPARG_HUMAN

Docking Scores:
-8.70 -9.63 -8.47
Similarity Score:
37.36%
Best Match:
CHEMBL4069917

PRGR_HUMAN

Docking Scores:
-6.92 -6.26 -9.71
Similarity Score:
37.28%
Best Match:
CHEMBL562509

PTGES_HUMAN

Docking Scores:
-7.59
Similarity Score:
60.59%
Best Match:
CHEMBL2336496

SC6A4_HUMAN

Docking Scores:
-9.02 -10.21 -9.56
Similarity Score:
36.96%
Best Match:
CHEMBL470849

SCN9A_HUMAN

Docking Scores:
-7.99
Similarity Score:
38.31%
Best Match:
CHEMBL2296304

TLR4_HUMAN

Docking Scores:
-9.23 -8.55 -8.77
Similarity Score:
33.20%
Best Match:
CHEMBL4068003

TNFA_HUMAN

Docking Scores:
-7.51
Similarity Score:
37.60%
Best Match:
CHEMBL142115

TRBM_HUMAN

Docking Scores:
-9.15 -7.50
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

Docking Scores:
-8.14 -8.73
Similarity Score:
N/A
Best Match:
N/A

TRPM8_FICAL

Docking Scores:
-9.53
Similarity Score:
N/A
Best Match:
N/A

TRPV1_RAT

Docking Scores:
-9.67
Similarity Score:
33.84%
Best Match:
CHEMBL3689047

TRPV2_RABIT

Docking Scores:
-7.91 -8.51
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-7.77 -7.21
Similarity Score:
43.04%
Best Match:
CHEMBL3984832

TRXR1_HUMAN

Docking Scores:
-8.00 -8.09 -6.79
Similarity Score:
N/A
Best Match:
N/A

TRY1_HUMAN

Docking Scores:
-6.59
Similarity Score:
38.80%
Best Match:
CHEMBL280769