NB001 #212 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1B_HUMAN

Docking Scores:
-6.55 -6.33 -6.72
Similarity Score:
35.53%
Best Match:
CHEMBL146991

5HT2A_HUMAN

Docking Scores:
-6.74 -6.47
Similarity Score:
43.87%
Best Match:
CHEMBL86719

5HT2B_HUMAN

Docking Scores:
-6.76 -6.38 -6.89
Similarity Score:
48.37%
Best Match:
CHEMBL3913293

5HT2C_HUMAN

Docking Scores:
-6.30 -5.94
Similarity Score:
58.49%
Best Match:
CHEMBL594489

AA1R_HUMAN

Docking Scores:
-5.63 -5.73 -6.62
Similarity Score:
60.40%
Best Match:
CHEMBL48278

AA2AR_HUMAN

Docking Scores:
-6.08 -6.41 -6.44
Similarity Score:
58.33%
Best Match:
CHEMBL446264

ACES_HUMAN

Docking Scores:
-6.99 -7.12 -7.48
Similarity Score:
35.62%
Best Match:
CHEMBL154972

ACE_HUMAN

Docking Scores:
-6.33 -6.27 -6.22
Similarity Score:
30.28%
Best Match:
CHEMBL79212

ACHA9_HUMAN

Docking Scores:
-4.88
Similarity Score:
21.54%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
-6.33 -7.02 -6.66
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-7.38 -6.71
Similarity Score:
43.38%
Best Match:
CHEMBL611476

ACM4_HUMAN

Docking Scores:
-7.14 -6.67
Similarity Score:
42.73%
Best Match:
CHEMBL2146597

ADRB2_HUMAN

Docking Scores:
-6.83 -6.78 -7.12
Similarity Score:
36.13%
Best Match:
CHEMBL462313

AGTR2_HUMAN

Docking Scores:
-6.27 -6.21 -5.84
Similarity Score:
33.85%
Best Match:
CHEMBL376286

ALDR_HUMAN

Docking Scores:
-6.74 -6.63 -7.62
Similarity Score:
26.90%
Best Match:
CHEMBL1405739

AMPN_HUMAN

Docking Scores:
-6.52 -6.44 -6.29
Similarity Score:
26.50%
Best Match:
CHEMBL3805487

AOFA_HUMAN

Docking Scores:
-6.93 -7.26 -7.21
Similarity Score:
30.57%
Best Match:
CHEMBL602466

AOFB_HUMAN

Docking Scores:
-6.89 -7.32 -7.04
Similarity Score:
38.75%
Best Match:
CHEMBL239230

BACE1_HUMAN

Docking Scores:
-5.62 -6.05 -6.15
Similarity Score:
32.09%
Best Match:
CHEMBL2047227

CAH2_HUMAN

Docking Scores:
-6.81 -6.72 -6.15
Similarity Score:
36.46%
Best Match:
CHEMBL2023718

CASP1_HUMAN

Docking Scores:
-4.39 -5.65 -5.31
Similarity Score:
47.93%
Best Match:
CHEMBL1221646

CDK5_HUMAN

Docking Scores:
-6.40 -6.77 -6.64
Similarity Score:
48.18%
Best Match:
CHEMBL3085251

CHLE_HUMAN

Docking Scores:
-6.83 -6.51 -6.71
Similarity Score:
33.87%
Best Match:
CHEMBL40302

CNR1_HUMAN

Docking Scores:
-6.17 -6.85 -7.03
Similarity Score:
40.23%
Best Match:
CHEMBL562668

CNR2_HUMAN

Docking Scores:
-6.75 -6.34
Similarity Score:
47.27%
Best Match:
CHEMBL2057805

COLI_HUMAN

Docking Scores:
-6.30 -6.43 -5.47
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-5.14 -5.03 -5.28
Similarity Score:
23.29%
Best Match:
CHEMBL3954860

CRP_HUMAN

Docking Scores:
-5.17 -5.35
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
-7.00
Similarity Score:
19.33%
Best Match:
CHEMBL3609011

CXCR4_HUMAN

Docking Scores:
-5.71 -6.05 -5.40
Similarity Score:
38.10%
Best Match:
CHEMBL853

DRD2_HUMAN

Docking Scores:
-6.02
Similarity Score:
43.48%
Best Match:
CHEMBL3423329

DRD3_HUMAN

Docking Scores:
-6.18
Similarity Score:
40.00%
Best Match:
CHEMBL219916

DRD4_HUMAN

Docking Scores:
-6.51 -6.48
Similarity Score:
41.73%
Best Match:
CHEMBL51

EDN1_HUMAN

Docking Scores:
-6.10
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-6.60 -6.20 -6.29
Similarity Score:
33.79%
Best Match:
CHEMBL1318094

FABP5_HUMAN

Docking Scores:
-5.64 -4.50 -4.80
Similarity Score:
23.39%
Best Match:
CHEMBL3941588

FYN_HUMAN

Docking Scores:
-6.41
Similarity Score:
44.81%
Best Match:
CHEMBL3823849

GLRA3_HUMAN

Docking Scores:
-6.33 -6.67 -6.28
Similarity Score:
15.53%
Best Match:
CHEMBL4074873

GLRA3_HUMAN

Docking Scores:
-6.81
Similarity Score:
15.53%
Best Match:
CHEMBL4074873

GRM5_HUMAN

Docking Scores:
-7.32 -7.42 -7.07
Similarity Score:
33.59%
Best Match:
CHEMBL3914940

HPGDS_HUMAN

Docking Scores:
-6.49 -5.58 -6.32
Similarity Score:
42.59%
Best Match:
CHEMBL3134492

HRH1_HUMAN

Docking Scores:
-6.91
Similarity Score:
41.73%
Best Match:
CHEMBL51

HYES_HUMAN

Docking Scores:
-6.93 -6.99 -6.60
Similarity Score:
35.34%
Best Match:
CHEMBL2392751

IKKB_HUMAN

Docking Scores:
-5.82
Similarity Score:
39.17%
Best Match:
CHEMBL231036

MDR1_HUMAN

Docking Scores:
-6.00 -5.76
Similarity Score:
40.87%
Best Match:
CHEMBL2074609

MIF_HUMAN

Docking Scores:
-5.64 -5.70 -5.58
Similarity Score:
20.34%
Best Match:
CHEMBL554271

MK01_HUMAN

Docking Scores:
-5.83 -5.92 -5.87
Similarity Score:
40.48%
Best Match:
CHEMBL1996791

MK03_HUMAN

Docking Scores:
-6.22 -6.45 -5.97
Similarity Score:
38.46%
Best Match:
CHEMBL1950289

MTOR_HUMAN

Docking Scores:
-6.09 -6.17 -5.73
Similarity Score:
43.40%
Best Match:
CHEMBL593768

NEP_HUMAN

Docking Scores:
-6.05 -6.08 -6.53
Similarity Score:
27.65%
Best Match:
CHEMBL3677670

NK1R_HUMAN

Docking Scores:
-5.67 -6.36 -5.98
Similarity Score:
41.38%
Best Match:
CHEMBL2313631

NMDE1_HUMAN

Docking Scores:
-7.38 -7.06 -6.79
Similarity Score:
13.12%
Best Match:
CHEMBL2333945

NMDE2_HUMAN

Docking Scores:
-6.92 -7.50 -7.09
Similarity Score:
37.01%
Best Match:
CHEMBL218068

NMDZ1_HUMAN

Docking Scores:
-7.34 -7.09 -6.79
Similarity Score:
27.86%
Best Match:
CHEMBL419399

NOS1_HUMAN

Docking Scores:
-7.16 -6.87 -8.20
Similarity Score:
30.48%
Best Match:
CHEMBL3216999

NOS2_HUMAN

Docking Scores:
-7.47 -8.04 -7.33
Similarity Score:
33.33%
Best Match:
CHEMBL220559

NTRK1_HUMAN

Docking Scores:
-6.59 -6.67 -6.76
Similarity Score:
41.22%
Best Match:
CHEMBL1997617

OPRD_HUMAN

Docking Scores:
-5.76 -5.23 -5.50
Similarity Score:
42.52%
Best Match:
CHEMBL1650847

OPRK_HUMAN

Docking Scores:
-6.05 -6.38 -6.38
Similarity Score:
46.26%
Best Match:
CHEMBL3394007

OPRM_MOUSE

Docking Scores:
-6.42 -6.31
Similarity Score:
26.92%
Best Match:
CHEMBL440765

OPRX_HUMAN

Docking Scores:
-5.46 -5.72 -5.88
Similarity Score:
47.47%
Best Match:
CHEMBL480619

P2RX3_HUMAN

Docking Scores:
-4.81 -4.53 -4.96
Similarity Score:
35.63%
Best Match:
CHEMBL14249

P2Y12_HUMAN

Docking Scores:
-6.13 -7.22 -7.32
Similarity Score:
36.99%
Best Match:
CHEMBL92363

PAR1_HUMAN

Docking Scores:
-6.57
Similarity Score:
34.84%
Best Match:
CHEMBL95632

PDE4B_HUMAN

Docking Scores:
-6.19 -6.88 -6.58
Similarity Score:
40.74%
Best Match:
CHEMBL178460

PDE5A_HUMAN

Docking Scores:
-6.08 -6.68 -6.37
Similarity Score:
41.48%
Best Match:
CHEMBL142782

PERM_HUMAN

Docking Scores:
-6.76 -6.94 -6.73
Similarity Score:
45.08%
Best Match:
CHEMBL1409565

PGH1_SHEEP

Docking Scores:
-7.15 -7.09 -6.70
Similarity Score:
25.71%
Best Match:
CHEMBL9197

PGH2_HUMAN

Docking Scores:
-6.88 -6.59 -7.14
Similarity Score:
26.97%
Best Match:
CHEMBL2236578

PPAP_HUMAN

Docking Scores:
-6.32
Similarity Score:
8.96%
Best Match:
CHEMBL501717

PPARG_HUMAN

Docking Scores:
-6.39 -7.13 -5.97
Similarity Score:
35.15%
Best Match:
CHEMBL603424

PRGR_HUMAN

Docking Scores:
-6.91 -6.81 -6.75
Similarity Score:
36.61%
Best Match:
CHEMBL2235632

PTGES_HUMAN

Docking Scores:
-6.21
Similarity Score:
35.29%
Best Match:
CHEMBL3770411

SC6A4_HUMAN

Docking Scores:
-6.71 -6.77 -6.76
Similarity Score:
48.45%
Best Match:
CHEMBL2207492

SCN9A_HUMAN

Docking Scores:
-5.87
Similarity Score:
32.24%
Best Match:
CHEMBL252239

TLR4_HUMAN

Docking Scores:
-5.52 -5.35 -6.19
Similarity Score:
31.40%
Best Match:
CHEMBL2386454

TNFA_HUMAN

Docking Scores:
-5.42
Similarity Score:
31.64%
Best Match:
CHEMBL4110900

TRBM_HUMAN

Docking Scores:
-6.88 -6.38
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

Docking Scores:
-5.36 -5.31
Similarity Score:
N/A
Best Match:
N/A

TRPM8_FICAL

Docking Scores:
-6.48
Similarity Score:
N/A
Best Match:
N/A

TRPV1_RAT

Docking Scores:
-7.19
Similarity Score:
27.84%
Best Match:
CHEMBL209347

TRPV2_RABIT

Docking Scores:
-6.22 -5.96
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-5.19 -5.86
Similarity Score:
22.67%
Best Match:
CHEMBL3692338

TRXR1_HUMAN

Docking Scores:
-7.06 -6.98 -4.73
Similarity Score:
N/A
Best Match:
N/A

TRY1_HUMAN

Docking Scores:
-5.96
Similarity Score:
35.29%
Best Match:
CHEMBL39475