LJ #500 Output - PAIN-CKB

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LJ #500 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

5HT1B_HUMAN

Docking Scores:
-6.38 -6.56 -6.91
Similarity Score:
49.30%
Best Match:
CHEMBL146942

5HT2A_HUMAN

Docking Scores:
-6.58 -6.64
Similarity Score:
60.00%
Best Match:
CHEMBL493129

5HT2B_HUMAN

Docking Scores:
-6.29 -6.62 -6.59
Similarity Score:
60.00%
Best Match:
CHEMBL493129

5HT2C_HUMAN

Docking Scores:
-6.37 -6.47
Similarity Score:
60.00%
Best Match:
CHEMBL493129

AA1R_HUMAN

Docking Scores:
-6.15 -6.23 -6.76
Similarity Score:
34.00%
Best Match:
CHEMBL1544

AA2AR_HUMAN

Docking Scores:
-6.66 -6.62 -6.52
Similarity Score:
39.56%
Best Match:
CHEMBL2042091

ACES_HUMAN

Docking Scores:
-6.57 -6.43 -6.90
Similarity Score:
60.32%
Best Match:
CHEMBL2088633

ACE_HUMAN

Docking Scores:
-5.94 -6.12 -5.74
Similarity Score:
32.23%
Best Match:
CHEMBL254495

ACHA9_HUMAN

Docking Scores:
-5.34
Similarity Score:
13.51%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
-5.26 -6.36 -6.39
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-7.10 -6.35
Similarity Score:
58.46%
Best Match:
CHEMBL4081662

ACM4_HUMAN

Docking Scores:
-7.21 -6.79
Similarity Score:
46.99%
Best Match:
CHEMBL83

ADRB2_HUMAN

Docking Scores:
-6.06 -6.77 -7.50
Similarity Score:
44.33%
Best Match:
CHEMBL513389

AGTR2_HUMAN

Docking Scores:
-6.34 -6.35 -6.57
Similarity Score:
28.97%
Best Match:
CHEMBL155987

ALDR_HUMAN

Docking Scores:
-6.48 -6.27 -6.73
Similarity Score:
37.84%
Best Match:
CHEMBL77283

AMPN_HUMAN

Docking Scores:
-5.59 -6.42 -6.13
Similarity Score:
31.34%
Best Match:
CHEMBL414393

AOFA_HUMAN

Docking Scores:
-6.86 -6.87 -7.17
Similarity Score:
53.23%
Best Match:
CHEMBL1070

AOFB_HUMAN

Docking Scores:
-6.89 -7.16 -7.09
Similarity Score:
51.61%
Best Match:
CHEMBL3918471

BACE1_HUMAN

Docking Scores:
-5.16 -5.50 -6.00
Similarity Score:
45.12%
Best Match:
CHEMBL3672445

CAH2_HUMAN

Docking Scores:
-5.65 -5.56 -5.38
Similarity Score:
57.63%
Best Match:
CHEMBL98253

CASP1_HUMAN

Docking Scores:
-5.13 -6.06 -4.60
Similarity Score:
31.43%
Best Match:
CHEMBL1221503

CDK5_HUMAN

Docking Scores:
-7.06 -7.24 -7.37
Similarity Score:
37.21%
Best Match:
CHEMBL1988201

CHLE_HUMAN

Docking Scores:
-6.40 -6.31 -6.54
Similarity Score:
42.27%
Best Match:
CHEMBL2381394

CNR1_HUMAN

Docking Scores:
-6.60 -6.48 -7.42
Similarity Score:
53.95%
Best Match:
CHEMBL234209

CNR2_HUMAN

Docking Scores:
-7.32 -6.84
Similarity Score:
56.16%
Best Match:
CHEMBL1214644

COLI_HUMAN

Docking Scores:
-6.22 -6.33 -5.90
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-4.90 -4.50 -5.42
Similarity Score:
34.75%
Best Match:
CHEMBL4639358

CRP_HUMAN

Docking Scores:
-4.73 -4.51
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
-6.95
Similarity Score:
26.55%
Best Match:
CHEMBL220182

CXCR4_HUMAN

Docking Scores:
-7.07 -5.85 -5.86
Similarity Score:
44.44%
Best Match:
CHEMBL126657

DRD2_HUMAN

Docking Scores:
-6.56
Similarity Score:
55.13%
Best Match:
CHEMBL30560

DRD3_HUMAN

Docking Scores:
-7.09
Similarity Score:
55.13%
Best Match:
CHEMBL30560

DRD4_HUMAN

Docking Scores:
-6.17 -6.92
Similarity Score:
51.19%
Best Match:
CHEMBL134866

EDN1_HUMAN

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

ESR1_HUMAN

Docking Scores:
-6.26 -6.17 -6.14
Similarity Score:
55.00%
Best Match:
CHEMBL205119

FABP5_HUMAN

Docking Scores:
-5.82 -4.27 -4.41
Similarity Score:
38.64%
Best Match:
CHEMBL4292072

FYN_HUMAN

Docking Scores:
-6.09
Similarity Score:
36.56%
Best Match:
CHEMBL221753

GLRA3_HUMAN

Docking Scores:
-6.73 -6.91 -6.84
Similarity Score:
17.39%
Best Match:
CHEMBL4070615

GLRA3_HUMAN

Docking Scores:
-7.03
Similarity Score:
17.39%
Best Match:
CHEMBL4070615

GRM5_HUMAN

Docking Scores:
-6.82 -7.94 -8.10
Similarity Score:
38.54%
Best Match:
CHEMBL1682820

HPGDS_HUMAN

Docking Scores:
-5.87 -6.75 -6.63
Similarity Score:
29.37%
Best Match:
CHEMBL4530713

HRH1_HUMAN

Docking Scores:
-6.98
Similarity Score:
40.43%
Best Match:
CHEMBL482496

HYES_HUMAN

Docking Scores:
-5.91 -6.56 -6.36
Similarity Score:
43.59%
Best Match:
CHEMBL32969

IKKB_HUMAN

Docking Scores:
-6.17
Similarity Score:
48.31%
Best Match:
CHEMBL3125821

MDR1_HUMAN

Docking Scores:
-5.81 -6.38
Similarity Score:
53.33%
Best Match:
CHEMBL3632925

MIF_HUMAN

Docking Scores:
-6.21 -6.10 -5.97
Similarity Score:
32.20%
Best Match:
CHEMBL3797437

MK01_HUMAN

Docking Scores:
-5.56 -5.67 -5.85
Similarity Score:
40.70%
Best Match:
CHEMBL1909070

MK03_HUMAN

Docking Scores:
-6.39 -6.20 -5.59
Similarity Score:
28.75%
Best Match:
CHEMBL4291759

MTOR_HUMAN

Docking Scores:
-6.57 -7.27 -6.72
Similarity Score:
34.21%
Best Match:
CHEMBL4202641

NEP_HUMAN

Docking Scores:
-6.66 -6.16 -6.65
Similarity Score:
34.23%
Best Match:
CHEMBL11620

NK1R_HUMAN

Docking Scores:
-6.62 -6.45 -6.03
Similarity Score:
45.88%
Best Match:
CHEMBL423597

NMDE1_HUMAN

Docking Scores:
-6.81 -6.75 -7.03
Similarity Score:
28.87%
Best Match:
CHEMBL284237

NMDE2_HUMAN

Docking Scores:
-7.22 -7.47 -7.23
Similarity Score:
51.90%
Best Match:
CHEMBL3357784

NMDZ1_HUMAN

Docking Scores:
-6.84 -6.67 -7.03
Similarity Score:
20.63%
Best Match:
CHEMBL419399

NOS1_HUMAN

Docking Scores:
-7.06 -7.10 -6.34
Similarity Score:
36.61%
Best Match:
CHEMBL85613

NOS2_HUMAN

Docking Scores:
-5.93 -5.90 -6.43
Similarity Score:
35.58%
Best Match:
CHEMBL1762475

NTRK1_HUMAN

Docking Scores:
-7.47 -7.31 -7.06
Similarity Score:
28.67%
Best Match:
CHEMBL175321

OPRD_HUMAN

Docking Scores:
-5.78 -5.55 -5.46
Similarity Score:
51.52%
Best Match:
CHEMBL411

OPRK_HUMAN

Docking Scores:
-7.01 -7.01 -6.57
Similarity Score:
52.56%
Best Match:
CHEMBL4472703

OPRM_MOUSE

Docking Scores:
-6.47 -5.88
Similarity Score:
40.22%
Best Match:
CHEMBL146248

OPRX_HUMAN

Docking Scores:
-5.81 -5.83 -6.08
Similarity Score:
41.94%
Best Match:
CHEMBL233494

P2RX3_HUMAN

Docking Scores:
-4.43 -4.20 -4.36
Similarity Score:
29.85%
Best Match:
CHEMBL596234

P2Y12_HUMAN

Docking Scores:
-6.47 -6.50 -6.57
Similarity Score:
30.86%
Best Match:
CHEMBL25

PAR1_HUMAN

Docking Scores:
-6.85
Similarity Score:
29.77%
Best Match:
CHEMBL80942

PDE4B_HUMAN

Docking Scores:
-6.57 -6.88 -6.78
Similarity Score:
42.27%
Best Match:
CHEMBL511115

PDE5A_HUMAN

Docking Scores:
-6.68 -6.69 -6.82
Similarity Score:
27.85%
Best Match:
CHEMBL422006

PERM_HUMAN

Docking Scores:
-6.61 -6.57 -6.55
Similarity Score:
42.86%
Best Match:
CHEMBL3920217

PGH1_SHEEP

Docking Scores:
-6.18 -6.91 -6.51
Similarity Score:
60.00%
Best Match:
CHEMBL229955

PGH2_HUMAN

Docking Scores:
-6.11 -6.38 -6.63
Similarity Score:
60.00%
Best Match:
CHEMBL229955

PPAP_HUMAN

Docking Scores:
-5.53 -5.64
Similarity Score:
29.13%
Best Match:
CHEMBL507996

PPARG_HUMAN

Docking Scores:
-5.94 -5.93 -5.97
Similarity Score:
47.96%
Best Match:
CHEMBL491820

PRGR_HUMAN

Docking Scores:
-6.26 -6.53 -6.50
Similarity Score:
51.81%
Best Match:
CHEMBL51788

PTGES_HUMAN

Docking Scores:
-5.22
Similarity Score:
44.58%
Best Match:
CHEMBL140

SC6A4_HUMAN

Docking Scores:
-6.32 -6.70 -6.76
Similarity Score:
52.70%
Best Match:
CHEMBL3966886

SCN9A_HUMAN

Docking Scores:
-7.00
Similarity Score:
37.74%
Best Match:
CHEMBL203440

TLR4_HUMAN

Docking Scores:
-6.82 -6.47 -6.07
Similarity Score:
34.68%
Best Match:
CHEMBL4076167

TNFA_HUMAN

Docking Scores:
-5.89 -5.52 -4.50
Similarity Score:
37.50%
Best Match:
CHEMBL63

TRBM_HUMAN

Docking Scores:
-5.68 -4.94
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

Docking Scores:
-5.16 -5.31
Similarity Score:
19.84%
Best Match:
CHEMBL1408302

TRPM8_FICAL

Docking Scores:
-6.86
Similarity Score:
N/A
Best Match:
N/A

TRPV1_RAT

Docking Scores:
-6.71
Similarity Score:
40.86%
Best Match:
CHEMBL2057857

TRPV2_RABIT

Docking Scores:
-6.34 -5.90
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-5.82 -5.88
Similarity Score:
29.08%
Best Match:
CHEMBL3664218

TRXR1_HUMAN

Docking Scores:
-5.56 -5.36 -4.84
Similarity Score:
19.57%
Best Match:
CHEMBL4459518

TRY1_HUMAN

Docking Scores:
-4.68
Similarity Score:
38.89%
Best Match:
CHEMBL320817