Compound-103 #246 Output - PAIN-CKB

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Compound-103 #246 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

5HT1B_HUMAN

Docking Scores:
-11.06 -11.08 -10.82
Similarity Score:
60.87%
Best Match:
CHEMBL191460

5HT2A_HUMAN

Docking Scores:
-12.11 -11.92
Similarity Score:
70.42%
Best Match:
CHEMBL234826

5HT2B_HUMAN

Docking Scores:
-11.15 -10.78 -11.13
Similarity Score:
67.05%
Best Match:
CHEMBL475245

5HT2C_HUMAN

Docking Scores:
-10.32 -12.23
Similarity Score:
60.87%
Best Match:
CHEMBL191460

AA1R_HUMAN

Docking Scores:
-10.04 -10.81 -8.25
Similarity Score:
40.30%
Best Match:
CHEMBL3765526

AA2AR_HUMAN

Docking Scores:
-10.56 -10.67 -10.03
Similarity Score:
43.55%
Best Match:
CHEMBL194704

ACES_HUMAN

Docking Scores:
-10.26 -9.93 -7.31
Similarity Score:
74.24%
Best Match:
CHEMBL56470

ACE_HUMAN

Docking Scores:
-9.31 -9.80 -7.74
Similarity Score:
47.71%
Best Match:
CHEMBL435360

ACHA9_HUMAN

Docking Scores:
-7.98
Similarity Score:
22.78%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
-8.75 -8.57 -6.83
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-7.71 6.09
Similarity Score:
65.48%
Best Match:
CHEMBL3600801

ACM4_HUMAN

Docking Scores:
-9.15 -9.11
Similarity Score:
55.81%
Best Match:
CHEMBL130835

ADRB2_HUMAN

Docking Scores:
-10.10 -11.13 -12.00
Similarity Score:
60.92%
Best Match:
CHEMBL1524289

AGTR2_HUMAN

Docking Scores:
-10.59 -11.09 -10.56
Similarity Score:
43.64%
Best Match:
CHEMBL376286

ALDR_HUMAN

Docking Scores:
-10.73 -10.79 -9.84
Similarity Score:
37.88%
Best Match:
CHEMBL4071420

AMPN_HUMAN

Docking Scores:
-10.06 -10.04 -9.00
Similarity Score:
39.00%
Best Match:
CHEMBL2204959

AOFA_HUMAN

Docking Scores:
-12.24 -12.18 -11.63
Similarity Score:
46.94%
Best Match:
CHEMBL3781494

AOFB_HUMAN

Docking Scores:
-11.85 -12.17 -12.10
Similarity Score:
49.07%
Best Match:
CHEMBL1814072

BACE1_HUMAN

Docking Scores:
-7.41 -8.34 -8.78
Similarity Score:
57.61%
Best Match:
CHEMBL3354252

CAH2_HUMAN

Docking Scores:
-8.89 -8.62 -8.82
Similarity Score:
54.79%
Best Match:
CHEMBL3092749

CASP1_HUMAN

Docking Scores:
-7.81 -7.96 -7.39
Similarity Score:
50.50%
Best Match:
CHEMBL590028

CDK5_HUMAN

Docking Scores:
-9.31 -9.67 -10.83
Similarity Score:
51.65%
Best Match:
CHEMBL1990254

CHLE_HUMAN

Docking Scores:
-9.76 -9.45 -10.15
Similarity Score:
62.50%
Best Match:
CHEMBL4077386

CNR1_HUMAN

Docking Scores:
-11.09 -10.04 -10.64
Similarity Score:
61.70%
Best Match:
CHEMBL3397448

CNR2_HUMAN

Docking Scores:
-12.31 -10.65
Similarity Score:
66.67%
Best Match:
CHEMBL579193

COLI_HUMAN

Docking Scores:
-10.16 -9.77 -9.74
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-7.67 -7.67 -7.38
Similarity Score:
33.33%
Best Match:
CHEMBL3818719

CRP_HUMAN

Docking Scores:
-6.45 -5.86
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
-0.88
Similarity Score:
26.78%
Best Match:
CHEMBL556862

CXCR4_HUMAN

Docking Scores:
-9.65 -7.96 -8.66
Similarity Score:
59.15%
Best Match:
CHEMBL2170299

DRD2_HUMAN

Docking Scores:
-11.50
Similarity Score:
70.51%
Best Match:
CHEMBL185156

DRD3_HUMAN

Docking Scores:
-10.77
Similarity Score:
92.54%
Best Match:
CHEMBL485227

DRD4_HUMAN

Docking Scores:
-10.51 -10.37
Similarity Score:
92.54%
Best Match:
CHEMBL485227

EDN1_HUMAN

Docking Scores:
-9.42
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-10.47 -9.23 -8.90
Similarity Score:
56.00%
Best Match:
CHEMBL244001

FABP5_HUMAN

Docking Scores:
-5.89 -6.94 -6.95
Similarity Score:
30.87%
Best Match:
CHEMBL3941588

FYN_HUMAN

Docking Scores:
-8.98
Similarity Score:
54.32%
Best Match:
CHEMBL1968394

GLRA3_HUMAN

Docking Scores:
-10.14 -8.71 -9.12
Similarity Score:
15.05%
Best Match:
CHEMBL4074873

GLRA3_HUMAN

Docking Scores:
-10.45
Similarity Score:
15.05%
Best Match:
CHEMBL4074873

GRM5_HUMAN

Docking Scores:
-8.52 -7.40 -8.49
Similarity Score:
66.67%
Best Match:
CHEMBL539185

HPGDS_HUMAN

Docking Scores:
-9.27 -10.05 -10.09
Similarity Score:
50.00%
Best Match:
CHEMBL2035650

HRH1_HUMAN

Docking Scores:
-9.16
Similarity Score:
55.17%
Best Match:
CHEMBL1882801

HYES_HUMAN

Docking Scores:
-10.97 -9.47 -9.54
Similarity Score:
75.34%
Best Match:
CHEMBL1507203

IKKB_HUMAN

Docking Scores:
-9.45
Similarity Score:
41.18%
Best Match:
CHEMBL1761511

MDR1_HUMAN

Docking Scores:
-9.89 -10.90
Similarity Score:
58.90%
Best Match:
CHEMBL2398097

MIF_HUMAN

Docking Scores:
-9.42 -10.08 -9.78
Similarity Score:
40.18%
Best Match:
CHEMBL1604170

MK01_HUMAN

Docking Scores:
-9.50 -8.24 -9.87
Similarity Score:
56.96%
Best Match:
CHEMBL1977135

MK03_HUMAN

Docking Scores:
-9.72 -10.09 -8.99
Similarity Score:
48.70%
Best Match:
CHEMBL3798926

MTOR_HUMAN

Docking Scores:
-11.39 -11.12 -11.15
Similarity Score:
43.28%
Best Match:
CHEMBL1795875

NEP_HUMAN

Docking Scores:
-8.72 -8.94 -9.92
Similarity Score:
55.29%
Best Match:
CHEMBL378050

NK1R_HUMAN

Docking Scores:
-9.34 -9.95 -10.13
Similarity Score:
58.88%
Best Match:
CHEMBL305375

NMDE1_HUMAN

Docking Scores:
-11.00 -10.06 -10.78
Similarity Score:
30.77%
Best Match:
CHEMBL284237

NMDE2_HUMAN

Docking Scores:
-10.99 -11.08 -11.43
Similarity Score:
45.24%
Best Match:
CHEMBL3357785

NMDZ1_HUMAN

Docking Scores:
-10.92 -10.06 -10.78
Similarity Score:
32.14%
Best Match:
CHEMBL354003

NOS1_HUMAN

Docking Scores:
-10.49 -10.60 -9.92
Similarity Score:
42.86%
Best Match:
CHEMBL258348

NOS2_HUMAN

Docking Scores:
-8.80 -9.68 0.31
Similarity Score:
42.86%
Best Match:
CHEMBL258348

NTRK1_HUMAN

Docking Scores:
-10.27 -10.43 -10.87
Similarity Score:
53.49%
Best Match:
CHEMBL1976290

OPRD_HUMAN

Docking Scores:
-9.18 -7.28 -9.07
Similarity Score:
65.43%
Best Match:
CHEMBL27579

OPRK_HUMAN

Docking Scores:
-10.78 -10.44 -9.58
Similarity Score:
63.86%
Best Match:
CHEMBL340724

OPRM_MOUSE

Docking Scores:
-9.63 -9.42
Similarity Score:
61.63%
Best Match:
CHEMBL2051964

OPRX_HUMAN

Docking Scores:
-8.88 -9.09 -9.55
Similarity Score:
60.76%
Best Match:
CHEMBL3969636

P2RX3_HUMAN

Docking Scores:
-6.55 -6.86 -7.34
Similarity Score:
41.10%
Best Match:
CHEMBL3669697

P2Y12_HUMAN

Docking Scores:
-9.59 -9.27 -10.04
Similarity Score:
48.28%
Best Match:
CHEMBL599606

PAR1_HUMAN

Docking Scores:
-11.73
Similarity Score:
46.30%
Best Match:
CHEMBL3658415

PDE4B_HUMAN

Docking Scores:
-10.02 -9.10 -9.83
Similarity Score:
41.03%
Best Match:
CHEMBL288928

PDE5A_HUMAN

Docking Scores:
-9.91 -9.74 -10.36
Similarity Score:
43.80%
Best Match:
CHEMBL190423

PERM_HUMAN

Docking Scores:
-8.52 -8.77 -9.30
Similarity Score:
42.17%
Best Match:
CHEMBL3892909

PGH1_SHEEP

Docking Scores:
-8.75 -9.10 -8.30
Similarity Score:
50.00%
Best Match:
CHEMBL268643

PGH2_HUMAN

Docking Scores:
-2.20 -7.55 -8.19
Similarity Score:
47.27%
Best Match:
CHEMBL148931

PPAP_HUMAN

Docking Scores:
-8.53
Similarity Score:
27.84%
Best Match:
CHEMBL498632

PPARG_HUMAN

Docking Scores:
-9.22 -9.80 -9.26
Similarity Score:
52.50%
Best Match:
CHEMBL3695819

PRGR_HUMAN

Docking Scores:
0.36 -5.92 -4.99
Similarity Score:
45.22%
Best Match:
CHEMBL144345

PTGES_HUMAN

Docking Scores:
-7.70
Similarity Score:
51.30%
Best Match:
CHEMBL3092283

SC6A4_HUMAN

Docking Scores:
-10.60 -10.35 -10.33
Similarity Score:
71.60%
Best Match:
CHEMBL3612829

SCN9A_HUMAN

Docking Scores:
-9.71
Similarity Score:
56.98%
Best Match:
CHEMBL2152694

TLR4_HUMAN

Docking Scores:
-10.44 -10.76 -10.20
Similarity Score:
28.16%
Best Match:
CHEMBL4068003

TNFA_HUMAN

Docking Scores:
-8.27
Similarity Score:
41.18%
Best Match:
CHEMBL11440

TRBM_HUMAN

Docking Scores:
-8.89 -7.22
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

Docking Scores:
-7.96 -7.72
Similarity Score:
N/A
Best Match:
N/A

TRPM8_FICAL

Docking Scores:
-10.33
Similarity Score:
N/A
Best Match:
N/A

TRPV1_RAT

Docking Scores:
-10.82
Similarity Score:
51.69%
Best Match:
CHEMBL86708

TRPV2_RABIT

Docking Scores:
-9.27 -9.08
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-8.04 -7.45
Similarity Score:
40.62%
Best Match:
CHEMBL3639953

TRXR1_HUMAN

Docking Scores:
-9.55 -9.82 -7.33
Similarity Score:
N/A
Best Match:
N/A

TRY1_HUMAN

Docking Scores:
-7.18
Similarity Score:
54.78%
Best Match:
CHEMBL45106