test #489 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
5HT1B_HUMAN

Docking Scores:
-9.13 -8.99 -8.35
Similarity Score:
30.00%
Best Match:
CHEMBL321562

5HT2A_HUMAN

Docking Scores:
-9.48 -9.35
Similarity Score:
35.21%
Best Match:
CHEMBL3220217

5HT2B_HUMAN

Docking Scores:
-9.38 -10.22 -9.52
Similarity Score:
35.79%
Best Match:
CHEMBL1836317

5HT2C_HUMAN

Docking Scores:
-9.87 -9.76
Similarity Score:
39.02%
Best Match:
CHEMBL4071321

AA1R_HUMAN

Docking Scores:
-8.53 -8.43 -7.35
Similarity Score:
51.25%
Best Match:
CHEMBL2391834

AA2AR_HUMAN

Docking Scores:
-8.75 -8.57 -9.12
Similarity Score:
51.25%
Best Match:
CHEMBL2391834

ACES_HUMAN

Docking Scores:
-11.15 -9.91 -8.07
Similarity Score:
57.64%
Best Match:
CHEMBL4527101

ACE_HUMAN

Docking Scores:
-8.69 -9.07 -8.11
Similarity Score:
23.33%
Best Match:
CHEMBL1242210

ACHA9_HUMAN

Docking Scores:
-7.11
Similarity Score:
17.71%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
-6.01 -6.84 -3.08
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-8.39 8.16
Similarity Score:
32.88%
Best Match:
CHEMBL2206598

ACM4_HUMAN

Docking Scores:
-7.66 -7.35
Similarity Score:
32.98%
Best Match:
CHEMBL4067974

ADRB2_HUMAN

Docking Scores:
-8.74 -9.35 -10.35
Similarity Score:
49.40%
Best Match:
CHEMBL1424697

AGTR2_HUMAN

Docking Scores:
-9.04 -8.81 -8.87
Similarity Score:
28.19%
Best Match:
CHEMBL166143

ALDR_HUMAN

Docking Scores:
-8.63 -9.55 -8.80
Similarity Score:
27.70%
Best Match:
CHEMBL240720

AMPN_HUMAN

Docking Scores:
-9.04 -10.19 -9.06
Similarity Score:
24.73%
Best Match:
CHEMBL1077589

AOFA_HUMAN

Docking Scores:
-9.81 -9.68 -10.39
Similarity Score:
34.87%
Best Match:
CHEMBL1213914

AOFB_HUMAN

Docking Scores:
-9.95 -10.82 -10.00
Similarity Score:
35.54%
Best Match:
CHEMBL3219203

BACE1_HUMAN

Docking Scores:
-7.38 -7.99 -8.76
Similarity Score:
38.52%
Best Match:
CHEMBL2181893

CAH2_HUMAN

Docking Scores:
-7.94 -7.95 -7.55
Similarity Score:
38.13%
Best Match:
CHEMBL4089153

CASP1_HUMAN

Docking Scores:
-6.62 -7.88 -6.82
Similarity Score:
29.05%
Best Match:
CHEMBL180273

CDK5_HUMAN

Docking Scores:
-8.76 -7.97 -6.80
Similarity Score:
49.25%
Best Match:
CHEMBL1983980

CHLE_HUMAN

Docking Scores:
-8.29 -8.48 -8.55
Similarity Score:
33.85%
Best Match:
CHEMBL4277303

CNR1_HUMAN

Docking Scores:
-7.50 -8.93 -9.63
Similarity Score:
42.86%
Best Match:
CHEMBL4591294

CNR2_HUMAN

Docking Scores:
-10.17 -9.43
Similarity Score:
44.02%
Best Match:
CHEMBL1762299

COLI_HUMAN

Docking Scores:
-8.49 -8.57 -8.44
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-7.22 -6.92 -7.08
Similarity Score:
36.22%
Best Match:
CHEMBL4435468

CRP_HUMAN

Docking Scores:
-6.16 -6.78
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
-4.72
Similarity Score:
29.49%
Best Match:
CHEMBL3609011

CXCR4_HUMAN

Docking Scores:
-8.76 -7.93 -8.18
Similarity Score:
34.48%
Best Match:
CHEMBL1802329

DRD2_HUMAN

Docking Scores:
-8.37
Similarity Score:
36.40%
Best Match:
CHEMBL249854

DRD3_HUMAN

Docking Scores:
-9.03
Similarity Score:
31.44%
Best Match:
CHEMBL90433

DRD4_HUMAN

Docking Scores:
-9.38 -9.60
Similarity Score:
41.38%
Best Match:
CHEMBL38349

EDN1_HUMAN

Docking Scores:
-8.17
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-8.43 -7.26 -8.79
Similarity Score:
38.31%
Best Match:
CHEMBL4204236

FABP5_HUMAN

Docking Scores:
-7.97 -7.24 -5.74
Similarity Score:
25.59%
Best Match:
CHEMBL3950316

FYN_HUMAN

Docking Scores:
-8.40
Similarity Score:
49.25%
Best Match:
CHEMBL1983980

GLRA3_HUMAN

Docking Scores:
-8.71 -8.26 -8.37
Similarity Score:
20.39%
Best Match:
CHEMBL4070615

GLRA3_HUMAN

Docking Scores:
-9.57
Similarity Score:
20.39%
Best Match:
CHEMBL4070615

GRM5_HUMAN

Docking Scores:
-5.98 -5.62 -6.10
Similarity Score:
48.68%
Best Match:
CHEMBL4205817

HPGDS_HUMAN

Docking Scores:
-8.64 -7.61 -7.47
Similarity Score:
46.38%
Best Match:
CHEMBL4454083

HRH1_HUMAN

Docking Scores:
-9.37
Similarity Score:
34.47%
Best Match:
CHEMBL1712377

HYES_HUMAN

Docking Scores:
-8.85 -9.29 -8.86
Similarity Score:
34.47%
Best Match:
CHEMBL3099680

IKKB_HUMAN

Docking Scores:
-8.32
Similarity Score:
36.03%
Best Match:
CHEMBL1986263

MDR1_HUMAN

Docking Scores:
-8.96 -8.43
Similarity Score:
32.97%
Best Match:
CHEMBL2335006

MIF_HUMAN

Docking Scores:
-5.54 -7.28 -6.43
Similarity Score:
26.42%
Best Match:
CHEMBL1253380

MK01_HUMAN

Docking Scores:
-8.61 -8.03 -7.99
Similarity Score:
40.85%
Best Match:
CHEMBL1682546

MK03_HUMAN

Docking Scores:
-9.01 -8.55 -7.37
Similarity Score:
38.02%
Best Match:
CHEMBL4216900

MTOR_HUMAN

Docking Scores:
-9.47 -9.60 -9.17
Similarity Score:
39.69%
Best Match:
CHEMBL1773603

NEP_HUMAN

Docking Scores:
-7.79 -8.19 -8.05
Similarity Score:
41.46%
Best Match:
CHEMBL34541

NK1R_HUMAN

Docking Scores:
-9.01 -8.45 -9.13
Similarity Score:
35.91%
Best Match:
CHEMBL107469

NMDE1_HUMAN

Docking Scores:
-8.08 -8.36 -8.08
Similarity Score:
25.27%
Best Match:
CHEMBL4555447

NMDE2_HUMAN

Docking Scores:
-9.07 -9.35 -9.26
Similarity Score:
34.43%
Best Match:
CHEMBL218547

NMDZ1_HUMAN

Docking Scores:
-9.18 -8.33 -8.08
Similarity Score:
24.37%
Best Match:
CHEMBL162577

NOS1_HUMAN

Docking Scores:
-9.57 -9.90 -9.41
Similarity Score:
32.82%
Best Match:
CHEMBL397710

NOS2_HUMAN

Docking Scores:
-9.04 -9.21 -3.47
Similarity Score:
31.06%
Best Match:
CHEMBL490919

NTRK1_HUMAN

Docking Scores:
-8.69 -9.09 -8.49
Similarity Score:
50.94%
Best Match:
CHEMBL3896203

OPRD_HUMAN

Docking Scores:
-8.10 -7.03 -7.67
Similarity Score:
39.05%
Best Match:
CHEMBL3086306

OPRK_HUMAN

Docking Scores:
-9.68 -9.54 -9.27
Similarity Score:
39.05%
Best Match:
CHEMBL3086306

OPRM_MOUSE

Docking Scores:
-8.77 -8.74
Similarity Score:
25.26%
Best Match:
CHEMBL61630

OPRX_HUMAN

Docking Scores:
-8.38 -7.68 -8.30
Similarity Score:
32.65%
Best Match:
CHEMBL4128926

P2RX3_HUMAN

Docking Scores:
-6.56 -6.20 -6.54
Similarity Score:
41.28%
Best Match:
CHEMBL3684545

P2Y12_HUMAN

Docking Scores:
-8.90 -6.29 -7.99
Similarity Score:
31.13%
Best Match:
CHEMBL50806

PAR1_HUMAN

Docking Scores:
-8.01
Similarity Score:
31.98%
Best Match:
CHEMBL3658404

PDE4B_HUMAN

Docking Scores:
-8.94 -9.71 -9.13
Similarity Score:
38.22%
Best Match:
CHEMBL4218878

PDE5A_HUMAN

Docking Scores:
-9.15 -9.36 -9.14
Similarity Score:
47.56%
Best Match:
CHEMBL365694

PERM_HUMAN

Docking Scores:
-7.53 -7.99 -8.17
Similarity Score:
29.49%
Best Match:
CHEMBL4294867

PGH1_SHEEP

Docking Scores:
-8.62 -8.07 -8.89
Similarity Score:
53.27%
Best Match:
CHEMBL3909479

PGH2_HUMAN

Docking Scores:
-5.84 -7.10 -7.61
Similarity Score:
52.34%
Best Match:
CHEMBL16996

PPAP_HUMAN

Docking Scores:
-8.04 -8.10
Similarity Score:
14.41%
Best Match:
CHEMBL507996

PPARG_HUMAN

Docking Scores:
-8.34 -8.82 -8.84
Similarity Score:
40.00%
Best Match:
CHEMBL223351

PRGR_HUMAN

Docking Scores:
-6.01 -5.30 -7.33
Similarity Score:
37.39%
Best Match:
CHEMBL1800984

PTGES_HUMAN

Docking Scores:
-6.89
Similarity Score:
41.61%
Best Match:
CHEMBL3094428

SC6A4_HUMAN

Docking Scores:
-9.35 -9.11 -9.46
Similarity Score:
32.83%
Best Match:
CHEMBL226984

SCN9A_HUMAN

Docking Scores:
-7.47
Similarity Score:
37.82%
Best Match:
CHEMBL2012250

TLR4_HUMAN

Docking Scores:
-7.72 -8.00 -8.64
Similarity Score:
27.31%
Best Match:
CHEMBL4213787

TNFA_HUMAN

Docking Scores:
-8.14 -6.71 -6.24
Similarity Score:
33.89%
Best Match:
CHEMBL3642457

TRBM_HUMAN

Docking Scores:
-8.03 -7.41
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

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

TRPM8_FICAL

Docking Scores:
-9.67
Similarity Score:
N/A
Best Match:
N/A

TRPV1_RAT

Docking Scores:
-6.80
Similarity Score:
43.35%
Best Match:
CHEMBL398293

TRPV2_RABIT

Docking Scores:
-8.88 -8.52
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-7.45 -7.86
Similarity Score:
32.00%
Best Match:
CHEMBL3696446

TRXR1_HUMAN

Docking Scores:
-8.06 -7.96 -6.75
Similarity Score:
21.86%
Best Match:
CHEMBL4281382

TRY1_HUMAN

Docking Scores:
-6.63
Similarity Score:
30.59%
Best Match:
CHEMBL3642972