Thesis_example #72 Output - PAIN-CKB

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Thesis_example #72 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

5HT1B_HUMAN

Docking Scores:
-7.63 -7.62 -7.92
Similarity Score:
11.11%
Best Match:
CHEMBL146942

5HT2A_HUMAN

Docking Scores:
-7.39 -7.26
Similarity Score:
20.00%
Best Match:
CHEMBL334255

5HT2B_HUMAN

Docking Scores:
-8.27 -8.12 -8.21
Similarity Score:
15.22%
Best Match:
CHEMBL1123

5HT2C_HUMAN

Docking Scores:
-7.94 -8.13
Similarity Score:
20.00%
Best Match:
CHEMBL334255

AA1R_HUMAN

Docking Scores:
-7.23 -7.87 -8.12
Similarity Score:
16.22%
Best Match:
CHEMBL3314905

AA2AR_HUMAN

Docking Scores:
-7.92 -7.85 -7.81
Similarity Score:
16.22%
Best Match:
CHEMBL3314905

ACES_HUMAN

Docking Scores:
-7.90 -7.23 -8.35
Similarity Score:
30.43%
Best Match:
CHEMBL345241

ACE_HUMAN

Docking Scores:
-6.61 -7.09 -6.38
Similarity Score:
19.35%
Best Match:
CHEMBL311988

ACHA9_HUMAN

Docking Scores:
-6.18
Similarity Score:
2.50%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
-6.42 -5.76 -5.99
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-8.09 -4.76
Similarity Score:
30.43%
Best Match:
CHEMBL75880

ACM4_HUMAN

Docking Scores:
-8.06 -8.11
Similarity Score:
30.43%
Best Match:
CHEMBL75880

ADRB2_HUMAN

Docking Scores:
-7.44 -7.14 -8.11
Similarity Score:
10.45%
Best Match:
CHEMBL1332942

AGTR2_HUMAN

Docking Scores:
-7.14 -7.07 -7.08
Similarity Score:
4.12%
Best Match:
CHEMBL376286

ALDR_HUMAN

Docking Scores:
-7.34 -7.37 -7.71
Similarity Score:
12.50%
Best Match:
CHEMBL173813

AMPN_HUMAN

Docking Scores:
-6.45 -7.53 -6.89
Similarity Score:
20.59%
Best Match:
CHEMBL27519

AOFA_HUMAN

Docking Scores:
-7.94 -8.15 -7.75
Similarity Score:
15.38%
Best Match:
CHEMBL3330334

AOFB_HUMAN

Docking Scores:
-7.82 -7.87 -7.68
Similarity Score:
15.38%
Best Match:
CHEMBL3330330

BACE1_HUMAN

Docking Scores:
-6.50 -6.30 -7.09
Similarity Score:
17.50%
Best Match:
CHEMBL3586197

CAH2_HUMAN

Docking Scores:
-5.71 -5.95 -5.76
Similarity Score:
53.85%
Best Match:
CHEMBL1946183

CASP1_HUMAN

Docking Scores:
-5.12 -6.11 -5.13
Similarity Score:
11.86%
Best Match:
CHEMBL252716

CDK5_HUMAN

Docking Scores:
-7.56 -8.23 -8.54
Similarity Score:
12.73%
Best Match:
CHEMBL1994526

CHLE_HUMAN

Docking Scores:
-7.28 -6.97 -7.09
Similarity Score:
36.84%
Best Match:
CHEMBL498645

CNR1_HUMAN

Docking Scores:
-7.55 -7.32 -8.50
Similarity Score:
15.22%
Best Match:
CHEMBL3809355

CNR2_HUMAN

Docking Scores:
-8.14 -7.65
Similarity Score:
27.27%
Best Match:
CHEMBL3360190

COLI_HUMAN

Docking Scores:
-7.38 -7.17 -7.05
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-5.88 -5.44 -5.75
Similarity Score:
3.77%
Best Match:
CHEMBL3425731

CRP_HUMAN

Docking Scores:
-4.81 -4.79
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
-7.81
Similarity Score:
4.84%
Best Match:
CHEMBL191413

CXCR4_HUMAN

Docking Scores:
-8.25 -5.56 -7.43
Similarity Score:
9.80%
Best Match:
CHEMBL2170299

DRD2_HUMAN

Docking Scores:
-7.18
Similarity Score:
12.73%
Best Match:
CHEMBL78916

DRD3_HUMAN

Docking Scores:
-7.39
Similarity Score:
15.22%
Best Match:
CHEMBL1123

DRD4_HUMAN

Docking Scores:
-7.76 -7.72
Similarity Score:
11.32%
Best Match:
CHEMBL162762

EDN1_HUMAN

Docking Scores:
-7.23
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-7.46 -7.46 -7.32
Similarity Score:
25.93%
Best Match:
CHEMBL1200623

FABP5_HUMAN

Docking Scores:
-6.50 -4.95 -5.17
Similarity Score:
30.00%
Best Match:
CHEMBL82293

FYN_HUMAN

Docking Scores:
-7.57
Similarity Score:
20.00%
Best Match:
CHEMBL334255

GLRA3_HUMAN

Docking Scores:
-7.77 -7.70 -7.51
Similarity Score:
2.07%
Best Match:
CHEMBL4070615

GLRA3_HUMAN

Docking Scores:
-7.56
Similarity Score:
2.07%
Best Match:
CHEMBL4070615

GRM5_HUMAN

Docking Scores:
-6.83 -8.80 -8.59
Similarity Score:
20.59%
Best Match:
CHEMBL1783985

HPGDS_HUMAN

Docking Scores:
-6.35 -5.83 -7.60
Similarity Score:
9.23%
Best Match:
CHEMBL1743209

HRH1_HUMAN

Docking Scores:
-8.08
Similarity Score:
12.07%
Best Match:
CHEMBL571174

HYES_HUMAN

Docking Scores:
-6.62 -7.59 -6.57
Similarity Score:
21.21%
Best Match:
CHEMBL69663

IKKB_HUMAN

Docking Scores:
-8.37
Similarity Score:
11.29%
Best Match:
CHEMBL1762621

MDR1_HUMAN

Docking Scores:
-6.64 -7.43
Similarity Score:
50.00%
Best Match:
CHEMBL486954

MIF_HUMAN

Docking Scores:
-5.77 -6.74 -6.36
Similarity Score:
5.83%
Best Match:
CHEMBL209588

MK01_HUMAN

Docking Scores:
-7.34 -7.05 -5.71
Similarity Score:
14.63%
Best Match:
CHEMBL547

MK03_HUMAN

Docking Scores:
-7.35 -7.28 -6.83
Similarity Score:
6.25%
Best Match:
CHEMBL3113587

MTOR_HUMAN

Docking Scores:
-7.46 -8.05 -8.33
Similarity Score:
18.92%
Best Match:
CHEMBL169

NEP_HUMAN

Docking Scores:
-6.62 -6.07 -5.47
Similarity Score:
15.56%
Best Match:
CHEMBL211529

NK1R_HUMAN

Docking Scores:
-7.61 -7.86 -7.42
Similarity Score:
10.45%
Best Match:
CHEMBL49175

NMDE1_HUMAN

Docking Scores:
-7.80 -7.91 -8.10
Similarity Score:
3.95%
Best Match:
CHEMBL284237

NMDE2_HUMAN

Docking Scores:
-7.67 -7.54 -7.55
Similarity Score:
12.96%
Best Match:
CHEMBL3357791

NMDZ1_HUMAN

Docking Scores:
-7.85 -7.89 -8.10
Similarity Score:
4.31%
Best Match:
CHEMBL325890

NOS1_HUMAN

Docking Scores:
-7.73 -7.86 -7.08
Similarity Score:
17.07%
Best Match:
CHEMBL185441

NOS2_HUMAN

Docking Scores:
-5.62 -5.66 -6.38
Similarity Score:
21.05%
Best Match:
CHEMBL1783072

NTRK1_HUMAN

Docking Scores:
-8.25 -8.05 -8.13
Similarity Score:
6.74%
Best Match:
CHEMBL1982413

OPRD_HUMAN

Docking Scores:
-6.25 -6.26 -6.25
Similarity Score:
13.46%
Best Match:
CHEMBL2112342

OPRK_HUMAN

Docking Scores:
-7.68 -7.77 -7.21
Similarity Score:
28.00%
Best Match:
CHEMBL2432039

OPRM_MOUSE

Docking Scores:
-7.74 -6.90
Similarity Score:
9.86%
Best Match:
CHEMBL592

OPRX_HUMAN

Docking Scores:
-6.49 -6.69 -6.46
Similarity Score:
14.58%
Best Match:
CHEMBL53256

P2RX3_HUMAN

Docking Scores:
-4.81 -4.56 -4.67
Similarity Score:
5.79%
Best Match:
CHEMBL3674941

P2Y12_HUMAN

Docking Scores:
-7.65 -7.17 -7.00
Similarity Score:
15.91%
Best Match:
CHEMBL299895

PAR1_HUMAN

Docking Scores:
-7.71
Similarity Score:
9.43%
Best Match:
CHEMBL80672

PDE4B_HUMAN

Docking Scores:
-7.44 -8.30 -8.25
Similarity Score:
8.24%
Best Match:
CHEMBL511115

PDE5A_HUMAN

Docking Scores:
-7.72 -7.51 -7.54
Similarity Score:
6.86%
Best Match:
CHEMBL554946

PERM_HUMAN

Docking Scores:
-7.71 -8.01 -7.78
Similarity Score:
7.69%
Best Match:
CHEMBL1630743

PGH1_SHEEP

Docking Scores:
-6.72 -8.53 -7.69
Similarity Score:
16.28%
Best Match:
CHEMBL503071

PGH2_HUMAN

Docking Scores:
-7.36 -7.76 -7.25
Similarity Score:
13.73%
Best Match:
CHEMBL504631

PPAP_HUMAN

Docking Scores:
-6.41
Similarity Score:
2.82%
Best Match:
CHEMBL501717

PPARG_HUMAN

Docking Scores:
-7.23 -7.06 -7.25
Similarity Score:
17.95%
Best Match:
CHEMBL230006

PRGR_HUMAN

Docking Scores:
-7.19 -7.41 -6.88
Similarity Score:
22.58%
Best Match:
CHEMBL1684464

PTGES_HUMAN

Docking Scores:
-5.94
Similarity Score:
19.44%
Best Match:
CHEMBL566929

SC6A4_HUMAN

Docking Scores:
-7.59 -7.15 -7.94
Similarity Score:
25.93%
Best Match:
CHEMBL1200623

SCN9A_HUMAN

Docking Scores:
-7.54
Similarity Score:
8.22%
Best Match:
CHEMBL381488

TLR4_HUMAN

Docking Scores:
-7.00 -7.14 -7.47
Similarity Score:
8.97%
Best Match:
CHEMBL1223752

TNFA_HUMAN

Docking Scores:
-6.43
Similarity Score:
6.54%
Best Match:
CHEMBL3944621

TRBM_HUMAN

Docking Scores:
-5.82 -5.77
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

Docking Scores:
-6.15 -5.97
Similarity Score:
N/A
Best Match:
N/A

TRPM8_FICAL

Docking Scores:
-7.73
Similarity Score:
N/A
Best Match:
N/A

TRPV1_RAT

Docking Scores:
-6.59
Similarity Score:
9.43%
Best Match:
CHEMBL15848

TRPV2_RABIT

Docking Scores:
-6.57 -7.15
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-7.10 -6.23
Similarity Score:
6.48%
Best Match:
CHEMBL3696381

TRXR1_HUMAN

Docking Scores:
-6.19 -6.35 -5.30
Similarity Score:
N/A
Best Match:
N/A

TRY1_HUMAN

Docking Scores:
-4.80
Similarity Score:
13.73%
Best Match:
CHEMBL289395