lvkui19001 #292 Output - PAIN-CKB

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lvkui19001 #292 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

5HT1B_HUMAN

Docking Scores:
-9.32 -9.05 -9.04
Similarity Score:
41.60%
Best Match:
CHEMBL1290716

5HT2A_HUMAN

Docking Scores:
-8.89 -9.57
Similarity Score:
49.35%
Best Match:
CHEMBL38633

5HT2B_HUMAN

Docking Scores:
-8.88 -9.39 -9.31
Similarity Score:
56.82%
Best Match:
CHEMBL299498

5HT2C_HUMAN

Docking Scores:
-8.83 -8.80
Similarity Score:
56.82%
Best Match:
CHEMBL299498

AA1R_HUMAN

Docking Scores:
-9.12 -9.39 -9.31
Similarity Score:
36.89%
Best Match:
CHEMBL541185

AA2AR_HUMAN

Docking Scores:
-9.48 -9.35 -10.07
Similarity Score:
56.96%
Best Match:
CHEMBL603095

ACES_HUMAN

Docking Scores:
-9.82 -9.61 -10.79
Similarity Score:
41.96%
Best Match:
CHEMBL488590

ACE_HUMAN

Docking Scores:
-8.82 -8.55 -8.56
Similarity Score:
35.11%
Best Match:
CHEMBL2435340

ACHA9_HUMAN

Docking Scores:
-8.01
Similarity Score:
21.35%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
-6.67 -5.43 -6.93
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-9.46 -6.04
Similarity Score:
44.26%
Best Match:
CHEMBL355874

ACM4_HUMAN

Docking Scores:
-8.59 -9.30
Similarity Score:
42.64%
Best Match:
CHEMBL2021479

ADRB2_HUMAN

Docking Scores:
-8.58 -8.87 -9.72
Similarity Score:
43.41%
Best Match:
CHEMBL1083053

AGTR2_HUMAN

Docking Scores:
-8.08 -8.14 -7.86
Similarity Score:
32.32%
Best Match:
CHEMBL305956

ALDR_HUMAN

Docking Scores:
-8.58 -9.14 -9.29
Similarity Score:
34.32%
Best Match:
CHEMBL139666

AMPN_HUMAN

Docking Scores:
-8.79 -9.40 -8.51
Similarity Score:
32.46%
Best Match:
CHEMBL2204943

AOFA_HUMAN

Docking Scores:
-9.63 -9.60 -9.86
Similarity Score:
36.51%
Best Match:
CHEMBL4097487

AOFB_HUMAN

Docking Scores:
-9.65 -9.83 -9.95
Similarity Score:
37.04%
Best Match:
CHEMBL3319245

BACE1_HUMAN

Docking Scores:
-7.55 -7.81 -9.01
Similarity Score:
40.16%
Best Match:
CHEMBL572940

CAH2_HUMAN

Docking Scores:
-7.35 -7.55 -7.19
Similarity Score:
42.99%
Best Match:
CHEMBL2377779

CASP1_HUMAN

Docking Scores:
-6.50 -7.81 -6.73
Similarity Score:
39.74%
Best Match:
CHEMBL308700

CDK5_HUMAN

Docking Scores:
-7.91 -8.83 -10.16
Similarity Score:
38.02%
Best Match:
CHEMBL1981782

CHLE_HUMAN

Docking Scores:
-10.01 -9.18 -9.20
Similarity Score:
41.96%
Best Match:
CHEMBL488590

CNR1_HUMAN

Docking Scores:
-8.73 -8.95 -10.12
Similarity Score:
41.67%
Best Match:
CHEMBL527031

CNR2_HUMAN

Docking Scores:
-9.82 -8.96
Similarity Score:
44.83%
Best Match:
CHEMBL393792

COLI_HUMAN

Docking Scores:
-9.13 -8.70 -8.91
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-6.75 -6.28 -6.59
Similarity Score:
32.17%
Best Match:
CHEMBL3797305

CRP_HUMAN

Docking Scores:
-6.34 -6.05
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
-5.50
Similarity Score:
29.06%
Best Match:
CHEMBL239767

CXCR4_HUMAN

Docking Scores:
-9.48 -7.37 -8.56
Similarity Score:
31.90%
Best Match:
CHEMBL3893083

DRD2_HUMAN

Docking Scores:
-8.86
Similarity Score:
48.65%
Best Match:
CHEMBL126285

DRD3_HUMAN

Docking Scores:
-7.88
Similarity Score:
48.65%
Best Match:
CHEMBL126285

DRD4_HUMAN

Docking Scores:
-8.78 -8.95
Similarity Score:
44.76%
Best Match:
CHEMBL4094407

EDN1_HUMAN

Docking Scores:
-7.41
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-7.71 -6.67 -6.83
Similarity Score:
33.57%
Best Match:
CHEMBL1433745

FABP5_HUMAN

Docking Scores:
-8.58 -6.23 -6.27
Similarity Score:
25.45%
Best Match:
CHEMBL3941588

FYN_HUMAN

Docking Scores:
-9.49
Similarity Score:
40.15%
Best Match:
CHEMBL1969502

GLRA3_HUMAN

Docking Scores:
-9.68 -9.37 -9.32
Similarity Score:
19.14%
Best Match:
CHEMBL4074873

GLRA3_HUMAN

Docking Scores:
-9.69
Similarity Score:
19.14%
Best Match:
CHEMBL4074873

GRM5_HUMAN

Docking Scores:
-7.84 -9.22 -8.55
Similarity Score:
37.89%
Best Match:
CHEMBL1682800

HPGDS_HUMAN

Docking Scores:
-8.77 -6.63 -7.42
Similarity Score:
33.83%
Best Match:
CHEMBL3425951

HRH1_HUMAN

Docking Scores:
-7.96
Similarity Score:
35.93%
Best Match:
CHEMBL1729417

HYES_HUMAN

Docking Scores:
-8.96 -9.78 -8.44
Similarity Score:
42.86%
Best Match:
CHEMBL2392749

IKKB_HUMAN

Docking Scores:
-9.72
Similarity Score:
34.55%
Best Match:
CHEMBL21156

MDR1_HUMAN

Docking Scores:
-8.11 -8.77
Similarity Score:
44.05%
Best Match:
CHEMBL2074833

MIF_HUMAN

Docking Scores:
-6.77 -7.94 -6.78
Similarity Score:
27.34%
Best Match:
CHEMBL523238

MK01_HUMAN

Docking Scores:
-8.85 -8.25 -7.99
Similarity Score:
40.15%
Best Match:
CHEMBL1969502

MK03_HUMAN

Docking Scores:
-9.48 -9.14 -8.44
Similarity Score:
29.32%
Best Match:
CHEMBL302449

MTOR_HUMAN

Docking Scores:
-8.81 -9.05 -9.09
Similarity Score:
52.83%
Best Match:
CHEMBL1259137

NEP_HUMAN

Docking Scores:
-7.98 -7.72 -8.04
Similarity Score:
42.86%
Best Match:
CHEMBL213944

NK1R_HUMAN

Docking Scores:
-8.41 -9.06 -9.04
Similarity Score:
38.22%
Best Match:
CHEMBL421591

NMDE1_HUMAN

Docking Scores:
-9.57 -9.24 -9.05
Similarity Score:
15.62%
Best Match:
CHEMBL284237

NMDE2_HUMAN

Docking Scores:
-10.18 -9.22 -9.82
Similarity Score:
29.32%
Best Match:
CHEMBL218067

NMDZ1_HUMAN

Docking Scores:
-9.95 -9.23 -9.05
Similarity Score:
30.38%
Best Match:
CHEMBL162293

NOS1_HUMAN

Docking Scores:
-9.61 -9.79 -8.87
Similarity Score:
36.22%
Best Match:
CHEMBL3216306

NOS2_HUMAN

Docking Scores:
-7.38 -7.91 -8.34
Similarity Score:
39.39%
Best Match:
CHEMBL470908

NTRK1_HUMAN

Docking Scores:
-9.21 -9.34 -9.09
Similarity Score:
41.18%
Best Match:
CHEMBL2380845

OPRD_HUMAN

Docking Scores:
-8.01 -7.10 -7.58
Similarity Score:
36.89%
Best Match:
CHEMBL493621

OPRK_HUMAN

Docking Scores:
-9.47 -8.67 -8.28
Similarity Score:
46.92%
Best Match:
CHEMBL14905

OPRM_MOUSE

Docking Scores:
-8.10 -8.05
Similarity Score:
32.46%
Best Match:
CHEMBL197479

OPRX_HUMAN

Docking Scores:
-7.71 -7.61 -7.84
Similarity Score:
37.31%
Best Match:
CHEMBL3665436

P2RX3_HUMAN

Docking Scores:
-6.41 -6.37 -6.41
Similarity Score:
30.97%
Best Match:
CHEMBL3669705

P2Y12_HUMAN

Docking Scores:
-9.04 -8.77 -9.25
Similarity Score:
30.00%
Best Match:
CHEMBL2103828

PAR1_HUMAN

Docking Scores:
-8.83
Similarity Score:
31.06%
Best Match:
CHEMBL3658407

PDE4B_HUMAN

Docking Scores:
-9.38 -9.63 -9.88
Similarity Score:
30.38%
Best Match:
CHEMBL3644499

PDE5A_HUMAN

Docking Scores:
-9.27 -9.61 -9.98
Similarity Score:
37.29%
Best Match:
CHEMBL557266

PERM_HUMAN

Docking Scores:
-9.10 -9.64 -9.25
Similarity Score:
36.22%
Best Match:
CHEMBL1409565

PGH1_SHEEP

Docking Scores:
-7.80 -8.81 -8.99
Similarity Score:
30.36%
Best Match:
CHEMBL8916

PGH2_HUMAN

Docking Scores:
-6.52 -7.81 -9.20
Similarity Score:
31.75%
Best Match:
CHEMBL596692

PPAP_HUMAN

Docking Scores:
-8.33
Similarity Score:
13.22%
Best Match:
CHEMBL68858

PPARG_HUMAN

Docking Scores:
-9.33 -8.86 -9.39
Similarity Score:
36.14%
Best Match:
CHEMBL3959627

PRGR_HUMAN

Docking Scores:
-8.02 -8.27 -8.26
Similarity Score:
40.30%
Best Match:
CHEMBL4082878

PTGES_HUMAN

Docking Scores:
-7.03
Similarity Score:
41.82%
Best Match:
CHEMBL3604190

SC6A4_HUMAN

Docking Scores:
-9.20 -9.04 -9.55
Similarity Score:
41.60%
Best Match:
CHEMBL1290716

SCN9A_HUMAN

Docking Scores:
-6.54
Similarity Score:
33.75%
Best Match:
CHEMBL3797267

TLR4_HUMAN

Docking Scores:
-7.47 -7.42 -8.27
Similarity Score:
27.27%
Best Match:
CHEMBL2419472

TNFA_HUMAN

Docking Scores:
-8.20
Similarity Score:
37.70%
Best Match:
CHEMBL3984643

TRBM_HUMAN

Docking Scores:
-8.38 -7.54
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

Docking Scores:
-7.44 -6.68
Similarity Score:
N/A
Best Match:
N/A

TRPM8_FICAL

Docking Scores:
-8.81
Similarity Score:
N/A
Best Match:
N/A

TRPV1_RAT

Docking Scores:
-7.16
Similarity Score:
43.81%
Best Match:
CHEMBL104028

TRPV2_RABIT

Docking Scores:
-7.80 -9.61
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-6.63 -7.89
Similarity Score:
27.70%
Best Match:
CHEMBL3696458

TRXR1_HUMAN

Docking Scores:
-8.25 -8.07 -6.67
Similarity Score:
N/A
Best Match:
N/A

TRY1_HUMAN

Docking Scores:
-6.59
Similarity Score:
38.65%
Best Match:
CHEMBL290947