trial #459 Output - PAIN-CKB

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trial #459 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

5HT1B_HUMAN

Docking Scores:
-5.76 -5.74 -5.61
Similarity Score:
45.12%
Best Match:
CHEMBL8165

5HT2A_HUMAN

Docking Scores:
-6.13 -5.96
Similarity Score:
100.00%
Best Match:
CHEMBL26687

5HT2B_HUMAN

Docking Scores:
-6.49 -6.16 -6.57
Similarity Score:
100.00%
Best Match:
CHEMBL26687

5HT2C_HUMAN

Docking Scores:
-5.96 -6.28
Similarity Score:
100.00%
Best Match:
CHEMBL26687

AA1R_HUMAN

Docking Scores:
-5.66 -5.51 -5.87
Similarity Score:
42.39%
Best Match:
CHEMBL1544

AA2AR_HUMAN

Docking Scores:
-5.79 -5.88 -5.91
Similarity Score:
36.56%
Best Match:
CHEMBL166424

ACES_HUMAN

Docking Scores:
-6.40 -6.51 -6.68
Similarity Score:
66.10%
Best Match:
CHEMBL2088633

ACE_HUMAN

Docking Scores:
-5.80 -5.64 -5.71
Similarity Score:
37.70%
Best Match:
CHEMBL173849

ACHA9_HUMAN

Docking Scores:
-4.90
Similarity Score:
15.64%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
-4.99 -5.71 -5.57
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-6.56 -4.16
Similarity Score:
74.07%
Best Match:
CHEMBL4073256

ACM4_HUMAN

Docking Scores:
-6.46 -5.86
Similarity Score:
47.06%
Best Match:
CHEMBL2205811

ADRB2_HUMAN

Docking Scores:
-5.60 -6.05 -6.53
Similarity Score:
65.15%
Best Match:
CHEMBL3099657

AGTR2_HUMAN

Docking Scores:
-5.35 -5.24 -5.08
Similarity Score:
33.33%
Best Match:
CHEMBL155987

ALDR_HUMAN

Docking Scores:
-5.97 -5.56 -6.12
Similarity Score:
41.57%
Best Match:
CHEMBL114289

AMPN_HUMAN

Docking Scores:
-5.60 -6.20 -5.38
Similarity Score:
46.34%
Best Match:
CHEMBL3806197

AOFA_HUMAN

Docking Scores:
-6.35 -6.08 -6.31
Similarity Score:
52.05%
Best Match:
CHEMBL3415801

AOFB_HUMAN

Docking Scores:
-6.26 -6.22 -6.26
Similarity Score:
60.61%
Best Match:
CHEMBL4205909

BACE1_HUMAN

Docking Scores:
-4.70 -5.08 -5.74
Similarity Score:
40.91%
Best Match:
CHEMBL2298980

CAH2_HUMAN

Docking Scores:
-5.93 -5.70 -5.63
Similarity Score:
74.63%
Best Match:
CHEMBL2387066

CASP1_HUMAN

Docking Scores:
-5.08 -4.96 -4.71
Similarity Score:
36.36%
Best Match:
CHEMBL1221503

CDK5_HUMAN

Docking Scores:
-6.05 -6.19 -7.02
Similarity Score:
38.83%
Best Match:
CHEMBL1976240

CHLE_HUMAN

Docking Scores:
-6.01 -5.90 -6.11
Similarity Score:
52.38%
Best Match:
CHEMBL521589

CNR1_HUMAN

Docking Scores:
-4.81 -6.20 -6.33
Similarity Score:
48.75%
Best Match:
CHEMBL478210

CNR2_HUMAN

Docking Scores:
-5.76 -5.77
Similarity Score:
48.75%
Best Match:
CHEMBL478210

COLI_HUMAN

Docking Scores:
-5.92 -5.72 -5.21
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-4.40 -4.30 -4.66
Similarity Score:
31.09%
Best Match:
CHEMBL4639358

CRP_HUMAN

Docking Scores:
-4.41 -4.19
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
-6.17
Similarity Score:
30.10%
Best Match:
CHEMBL4442431

CXCR4_HUMAN

Docking Scores:
-6.11 -5.18 -5.74
Similarity Score:
38.55%
Best Match:
CHEMBL4440964

DRD2_HUMAN

Docking Scores:
-5.69
Similarity Score:
72.00%
Best Match:
CHEMBL59

DRD3_HUMAN

Docking Scores:
-6.26
Similarity Score:
72.00%
Best Match:
CHEMBL59

DRD4_HUMAN

Docking Scores:
-6.01 -6.31
Similarity Score:
72.00%
Best Match:
CHEMBL59

EDN1_HUMAN

Docking Scores:
-5.89
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-5.77 -5.75 -5.73
Similarity Score:
50.77%
Best Match:
CHEMBL311636

FABP5_HUMAN

Docking Scores:
-5.08 -3.99 -4.14
Similarity Score:
37.37%
Best Match:
CHEMBL212860

FYN_HUMAN

Docking Scores:
-5.85
Similarity Score:
36.26%
Best Match:
CHEMBL221753

GLRA3_HUMAN

Docking Scores:
-5.62 -5.67 -5.71
Similarity Score:
20.00%
Best Match:
CHEMBL4070615

GLRA3_HUMAN

Docking Scores:
-6.13
Similarity Score:
20.00%
Best Match:
CHEMBL4070615

GRM5_HUMAN

Docking Scores:
-5.84 -5.92 -5.89
Similarity Score:
39.77%
Best Match:
CHEMBL1289626

HPGDS_HUMAN

Docking Scores:
-5.40 -5.32 -6.09
Similarity Score:
28.00%
Best Match:
CHEMBL4530713

HRH1_HUMAN

Docking Scores:
-6.26
Similarity Score:
44.94%
Best Match:
CHEMBL482496

HYES_HUMAN

Docking Scores:
-5.84 -5.98 -5.26
Similarity Score:
49.35%
Best Match:
CHEMBL4475844

IKKB_HUMAN

Docking Scores:
-5.78
Similarity Score:
40.22%
Best Match:
CHEMBL3125821

MDR1_HUMAN

Docking Scores:
-5.24 -5.27
Similarity Score:
60.53%
Best Match:
CHEMBL2398181

MIF_HUMAN

Docking Scores:
-4.86 -4.93 -5.00
Similarity Score:
39.71%
Best Match:
CHEMBL81201

MK01_HUMAN

Docking Scores:
-5.50 -5.29 -4.97
Similarity Score:
38.83%
Best Match:
CHEMBL1976240

MK03_HUMAN

Docking Scores:
-5.79 -6.04 -5.41
Similarity Score:
31.58%
Best Match:
CHEMBL4291759

MTOR_HUMAN

Docking Scores:
-5.86 -6.05 -5.91
Similarity Score:
45.05%
Best Match:
CHEMBL4214825

NEP_HUMAN

Docking Scores:
-5.86 -5.33 -5.74
Similarity Score:
43.69%
Best Match:
CHEMBL11806

NK1R_HUMAN

Docking Scores:
-5.45 -5.98 -5.51
Similarity Score:
48.08%
Best Match:
CHEMBL172676

NMDE1_HUMAN

Docking Scores:
-6.68 -6.55 -6.92
Similarity Score:
25.77%
Best Match:
CHEMBL284237

NMDE2_HUMAN

Docking Scores:
-6.24 -5.80 -6.35
Similarity Score:
51.95%
Best Match:
CHEMBL3357784

NMDZ1_HUMAN

Docking Scores:
-6.67 -6.58 -6.92
Similarity Score:
19.20%
Best Match:
CHEMBL419399

NOS1_HUMAN

Docking Scores:
-6.41 -6.65 -6.48
Similarity Score:
38.32%
Best Match:
CHEMBL4099944

NOS2_HUMAN

Docking Scores:
-5.90 -6.38 -6.49
Similarity Score:
38.00%
Best Match:
CHEMBL1762476

NTRK1_HUMAN

Docking Scores:
-5.68 -5.74 -5.59
Similarity Score:
39.05%
Best Match:
CHEMBL261849

OPRD_HUMAN

Docking Scores:
-5.37 -4.64 -5.05
Similarity Score:
53.85%
Best Match:
CHEMBL4094512

OPRK_HUMAN

Docking Scores:
-5.62 -5.46 -5.83
Similarity Score:
62.16%
Best Match:
CHEMBL3735756

OPRM_MOUSE

Docking Scores:
-5.76 -5.59
Similarity Score:
41.18%
Best Match:
CHEMBL46399

OPRX_HUMAN

Docking Scores:
-5.09 -5.06 -5.03
Similarity Score:
42.70%
Best Match:
CHEMBL448155

P2RX3_HUMAN

Docking Scores:
-4.62 -4.26 -4.68
Similarity Score:
36.22%
Best Match:
CHEMBL4557775

P2Y12_HUMAN

Docking Scores:
-6.31 -5.80 -6.28
Similarity Score:
28.75%
Best Match:
CHEMBL25

PAR1_HUMAN

Docking Scores:
-6.01
Similarity Score:
33.62%
Best Match:
CHEMBL2370948

PDE4B_HUMAN

Docking Scores:
-5.73 -6.89 -6.28
Similarity Score:
52.27%
Best Match:
CHEMBL36724

PDE5A_HUMAN

Docking Scores:
-5.76 -5.78 -5.78
Similarity Score:
33.94%
Best Match:
CHEMBL363889

PERM_HUMAN

Docking Scores:
-6.31 -6.26 -5.91
Similarity Score:
43.48%
Best Match:
CHEMBL3925807

PGH1_SHEEP

Docking Scores:
-5.27 -5.91 -5.92
Similarity Score:
44.44%
Best Match:
CHEMBL12952

PGH2_HUMAN

Docking Scores:
-5.90 -6.36 -6.25
Similarity Score:
49.23%
Best Match:
CHEMBL83527

PPAP_HUMAN

Docking Scores:
-5.35 -5.68
Similarity Score:
34.02%
Best Match:
CHEMBL507996

PPARG_HUMAN

Docking Scores:
-5.70 -5.88 -5.43
Similarity Score:
45.54%
Best Match:
CHEMBL1836977

PRGR_HUMAN

Docking Scores:
-5.70 -5.66 -5.48
Similarity Score:
41.38%
Best Match:
CHEMBL51788

PTGES_HUMAN

Docking Scores:
-5.23
Similarity Score:
38.14%
Best Match:
CHEMBL3753433

SC6A4_HUMAN

Docking Scores:
-5.69 -5.69 -6.11
Similarity Score:
66.18%
Best Match:
CHEMBL43048

SCN9A_HUMAN

Docking Scores:
-5.62
Similarity Score:
34.65%
Best Match:
CHEMBL3940953

TLR4_HUMAN

Docking Scores:
-4.60 -5.02 -4.99
Similarity Score:
34.06%
Best Match:
CHEMBL3261007

TNFA_HUMAN

Docking Scores:
-5.29 -5.46 -4.01
Similarity Score:
48.94%
Best Match:
CHEMBL63

TRBM_HUMAN

Docking Scores:
-5.35 -5.12
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

Docking Scores:
-4.64 -4.87
Similarity Score:
21.31%
Best Match:
CHEMBL1408302

TRPM8_FICAL

Docking Scores:
-5.78
Similarity Score:
N/A
Best Match:
N/A

TRPV1_RAT

Docking Scores:
-5.87
Similarity Score:
56.41%
Best Match:
CHEMBL2057855

TRPV2_RABIT

Docking Scores:
-6.08 -5.55
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-4.55 -5.26
Similarity Score:
27.86%
Best Match:
CHEMBL3664218

TRXR1_HUMAN

Docking Scores:
-5.68 -5.82 -4.41
Similarity Score:
21.80%
Best Match:
CHEMBL4459518

TRY1_HUMAN

Docking Scores:
-4.46
Similarity Score:
37.04%
Best Match:
CHEMBL149157