Test12343 #216 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1B_HUMAN

Docking Scores:
-8.54 -8.51 -7.89
Similarity Score:
33.51%
Best Match:
CHEMBL174141

5HT2A_HUMAN

Docking Scores:
-8.64 -8.62
Similarity Score:
41.62%
Best Match:
CHEMBL92416

5HT2B_HUMAN

Docking Scores:
-8.20 -8.83 -8.57
Similarity Score:
33.82%
Best Match:
CHEMBL3970299

5HT2C_HUMAN

Docking Scores:
-8.49 -8.25
Similarity Score:
41.62%
Best Match:
CHEMBL92416

AA1R_HUMAN

Docking Scores:
-8.22 -8.14 -7.74
Similarity Score:
40.51%
Best Match:
CHEMBL3754656

AA2AR_HUMAN

Docking Scores:
-7.88 -8.10 -8.96
Similarity Score:
40.51%
Best Match:
CHEMBL3754656

ACES_HUMAN

Docking Scores:
-8.95 -8.43 -7.43
Similarity Score:
37.50%
Best Match:
CHEMBL1770555

ACE_HUMAN

Docking Scores:
-7.76 -8.00 -6.80
Similarity Score:
22.42%
Best Match:
CHEMBL216386

ACHA9_HUMAN

Docking Scores:
-6.99
Similarity Score:
21.76%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
-4.35 -1.48 -1.35
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-5.20 9.35
Similarity Score:
30.73%
Best Match:
CHEMBL1090433

ACM4_HUMAN

Docking Scores:
-6.63 -7.74
Similarity Score:
30.14%
Best Match:
CHEMBL1212983

ADRB2_HUMAN

Docking Scores:
-7.88 -7.38 -8.77
Similarity Score:
35.07%
Best Match:
CHEMBL193627

AGTR2_HUMAN

Docking Scores:
-7.52 -7.28 -7.42
Similarity Score:
29.15%
Best Match:
CHEMBL58156

ALDR_HUMAN

Docking Scores:
-7.66 -7.76 -7.26
Similarity Score:
30.59%
Best Match:
CHEMBL364699

AMPN_HUMAN

Docking Scores:
-7.93 -8.09 -7.47
Similarity Score:
19.52%
Best Match:
CHEMBL1077591

AOFA_HUMAN

Docking Scores:
-9.05 -9.11 -9.62
Similarity Score:
100.00%
Best Match:
CHEMBL405110

AOFB_HUMAN

Docking Scores:
-9.12 -8.88 -8.60
Similarity Score:
42.49%
Best Match:
CHEMBL2418210

BACE1_HUMAN

Docking Scores:
-6.79 -7.04 -8.27
Similarity Score:
35.79%
Best Match:
CHEMBL3982458

CAH2_HUMAN

Docking Scores:
-6.57 -6.30 -6.45
Similarity Score:
31.43%
Best Match:
CHEMBL420105

CASP1_HUMAN

Docking Scores:
-6.11 -7.32 -5.73
Similarity Score:
27.99%
Best Match:
CHEMBL181775

CDK5_HUMAN

Docking Scores:
-7.32 -7.88 -7.59
Similarity Score:
36.49%
Best Match:
CHEMBL1966524

CHLE_HUMAN

Docking Scores:
-7.70 -7.62 -7.79
Similarity Score:
30.69%
Best Match:
CHEMBL4078849

CNR1_HUMAN

Docking Scores:
-6.73 -8.90 -8.88
Similarity Score:
33.92%
Best Match:
CHEMBL1762805

CNR2_HUMAN

Docking Scores:
-8.76 -8.05
Similarity Score:
33.65%
Best Match:
CHEMBL2057795

COLI_HUMAN

Docking Scores:
-7.88 -7.68 -8.21
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-5.50 -5.68 -5.48
Similarity Score:
31.74%
Best Match:
CHEMBL3425722

CRP_HUMAN

Docking Scores:
-5.32 -5.06
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
-1.98
Similarity Score:
22.40%
Best Match:
CHEMBL464012

CXCR4_HUMAN

Docking Scores:
-8.12 -6.55 -6.98
Similarity Score:
25.88%
Best Match:
CHEMBL1644085

DRD2_HUMAN

Docking Scores:
-7.60
Similarity Score:
41.62%
Best Match:
CHEMBL92416

DRD3_HUMAN

Docking Scores:
-8.36
Similarity Score:
33.82%
Best Match:
CHEMBL3970299

DRD4_HUMAN

Docking Scores:
-8.62 -8.49
Similarity Score:
33.17%
Best Match:
CHEMBL3818799

EDN1_HUMAN

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

ESR1_HUMAN

Docking Scores:
-6.69 -7.76 -7.41
Similarity Score:
31.32%
Best Match:
CHEMBL196283

FABP5_HUMAN

Docking Scores:
-7.34 -5.74 -6.07
Similarity Score:
21.63%
Best Match:
CHEMBL3933786

FYN_HUMAN

Docking Scores:
-8.95
Similarity Score:
35.05%
Best Match:
CHEMBL504950

GLRA3_HUMAN

Docking Scores:
-7.74 -7.32 -7.18
Similarity Score:
15.85%
Best Match:
CHEMBL4074873

GLRA3_HUMAN

Docking Scores:
-8.61
Similarity Score:
15.85%
Best Match:
CHEMBL4074873

GRM5_HUMAN

Docking Scores:
-7.90 -2.77 -4.90
Similarity Score:
34.16%
Best Match:
CHEMBL1951664

HPGDS_HUMAN

Docking Scores:
-8.07 -7.05 -8.40
Similarity Score:
40.88%
Best Match:
CHEMBL3940173

HRH1_HUMAN

Docking Scores:
-6.35
Similarity Score:
33.82%
Best Match:
CHEMBL3970299

HYES_HUMAN

Docking Scores:
-7.18 -9.15 -7.19
Similarity Score:
25.11%
Best Match:
CHEMBL1957971

IKKB_HUMAN

Docking Scores:
-8.68
Similarity Score:
45.62%
Best Match:
CHEMBL2375678

MDR1_HUMAN

Docking Scores:
-7.87 -7.59
Similarity Score:
38.87%
Best Match:
CHEMBL450642

MIF_HUMAN

Docking Scores:
-5.00 -6.77 -5.32
Similarity Score:
24.15%
Best Match:
CHEMBL153074

MK01_HUMAN

Docking Scores:
-7.82 -7.74 -7.06
Similarity Score:
36.49%
Best Match:
CHEMBL1966524

MK03_HUMAN

Docking Scores:
-8.02 -7.90 -7.71
Similarity Score:
29.03%
Best Match:
CHEMBL213618

MTOR_HUMAN

Docking Scores:
-8.58 -8.62 -8.19
Similarity Score:
42.29%
Best Match:
CHEMBL4098035

NEP_HUMAN

Docking Scores:
-7.04 -7.04 -7.18
Similarity Score:
33.83%
Best Match:
CHEMBL3677662

NK1R_HUMAN

Docking Scores:
-8.01 -8.02 -7.51
Similarity Score:
32.39%
Best Match:
CHEMBL286646

NMDE1_HUMAN

Docking Scores:
-7.24 -7.09 -7.08
Similarity Score:
12.98%
Best Match:
CHEMBL2333945

NMDE2_HUMAN

Docking Scores:
-7.72 -8.40 -7.87
Similarity Score:
28.57%
Best Match:
CHEMBL2013205

NMDZ1_HUMAN

Docking Scores:
-7.42 -7.17 -7.08
Similarity Score:
25.32%
Best Match:
CHEMBL163307

NOS1_HUMAN

Docking Scores:
-7.50 -7.57 -7.05
Similarity Score:
36.07%
Best Match:
CHEMBL397506

NOS2_HUMAN

Docking Scores:
-6.20 -7.10 -5.70
Similarity Score:
28.82%
Best Match:
CHEMBL555715

NTRK1_HUMAN

Docking Scores:
-8.53 -8.60 -9.08
Similarity Score:
39.90%
Best Match:
CHEMBL4079058

OPRD_HUMAN

Docking Scores:
-7.00 -6.29 -6.64
Similarity Score:
32.09%
Best Match:
CHEMBL200940

OPRK_HUMAN

Docking Scores:
-8.01 -8.01 -7.61
Similarity Score:
29.15%
Best Match:
CHEMBL2443278

OPRM_MOUSE

Docking Scores:
-7.80 -7.51
Similarity Score:
25.87%
Best Match:
CHEMBL196960

OPRX_HUMAN

Docking Scores:
-6.99 -6.49 -7.89
Similarity Score:
28.21%
Best Match:
CHEMBL3394749

P2RX3_HUMAN

Docking Scores:
-5.64 -5.44 -5.87
Similarity Score:
36.41%
Best Match:
CHEMBL3901252

P2Y12_HUMAN

Docking Scores:
-7.67 -5.04 -6.35
Similarity Score:
30.14%
Best Match:
CHEMBL585852

PAR1_HUMAN

Docking Scores:
-6.73
Similarity Score:
32.65%
Best Match:
CHEMBL381121

PDE4B_HUMAN

Docking Scores:
-7.83 -8.17 -7.84
Similarity Score:
32.68%
Best Match:
CHEMBL2172369

PDE5A_HUMAN

Docking Scores:
-8.13 -8.19 -7.90
Similarity Score:
40.45%
Best Match:
CHEMBL117108

PERM_HUMAN

Docking Scores:
-7.08 -6.91 -7.06
Similarity Score:
22.47%
Best Match:
CHEMBL3194273

PGH1_SHEEP

Docking Scores:
-7.45 -7.08 -7.32
Similarity Score:
22.02%
Best Match:
CHEMBL3892572

PGH2_HUMAN

Docking Scores:
-3.55 -4.39 -6.49
Similarity Score:
31.31%
Best Match:
CHEMBL421417

PPAP_HUMAN

Docking Scores:
-6.82
Similarity Score:
12.36%
Best Match:
CHEMBL501717

PPARG_HUMAN

Docking Scores:
-7.50 -7.55 -8.10
Similarity Score:
31.47%
Best Match:
CHEMBL4087052

PRGR_HUMAN

Docking Scores:
-7.23 -5.35 -6.99
Similarity Score:
29.70%
Best Match:
CHEMBL134260

PTGES_HUMAN

Docking Scores:
-5.87
Similarity Score:
38.58%
Best Match:
CHEMBL2387603

SC6A4_HUMAN

Docking Scores:
-8.58 -8.14 -8.49
Similarity Score:
35.14%
Best Match:
CHEMBL2037523

SCN9A_HUMAN

Docking Scores:
-8.12
Similarity Score:
30.97%
Best Match:
CHEMBL3682815

TLR4_HUMAN

Docking Scores:
-7.48 -7.33 -7.00
Similarity Score:
20.08%
Best Match:
CHEMBL4068003

TNFA_HUMAN

Docking Scores:
-7.44
Similarity Score:
46.43%
Best Match:
CHEMBL57267

TRBM_HUMAN

Docking Scores:
-7.54 -6.12
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

Docking Scores:
-7.07 -6.77
Similarity Score:
N/A
Best Match:
N/A

TRPM8_FICAL

Docking Scores:
-8.58
Similarity Score:
N/A
Best Match:
N/A

TRPV1_RAT

Docking Scores:
-7.57
Similarity Score:
34.54%
Best Match:
CHEMBL2088420

TRPV2_RABIT

Docking Scores:
-7.67 -7.78
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-6.39 -7.06
Similarity Score:
42.86%
Best Match:
CHEMBL3696397

TRXR1_HUMAN

Docking Scores:
-7.06 -7.17 -6.48
Similarity Score:
N/A
Best Match:
N/A

TRY1_HUMAN

Docking Scores:
-6.02
Similarity Score:
31.20%
Best Match:
CHEMBL341148