tt #228 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1B_HUMAN

Docking Scores:
-8.26 -8.25 -8.00
Similarity Score:
33.65%
Best Match:
CHEMBL191460

5HT2A_HUMAN

Docking Scores:
-8.39 -8.80
Similarity Score:
44.44%
Best Match:
CHEMBL49

5HT2B_HUMAN

Docking Scores:
-8.50 -8.72 -9.29
Similarity Score:
44.44%
Best Match:
CHEMBL49

5HT2C_HUMAN

Docking Scores:
-8.72 -7.93
Similarity Score:
42.86%
Best Match:
CHEMBL2260568

AA1R_HUMAN

Docking Scores:
-7.38 -8.39 -6.79
Similarity Score:
32.03%
Best Match:
CHEMBL3913293

AA2AR_HUMAN

Docking Scores:
-8.19 -7.96 -8.17
Similarity Score:
29.17%
Best Match:
CHEMBL217541

ACES_HUMAN

Docking Scores:
-9.23 -8.23 -7.91
Similarity Score:
46.15%
Best Match:
CHEMBL1783535

ACE_HUMAN

Docking Scores:
-8.27 -8.09 -7.90
Similarity Score:
65.75%
Best Match:
CHEMBL430630

ACHA9_HUMAN

Docking Scores:
-6.91
Similarity Score:
23.26%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
-5.17 -8.22 -8.66
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-8.64 -5.60
Similarity Score:
51.35%
Best Match:
CHEMBL355193

ACM4_HUMAN

Docking Scores:
-8.48 -6.69
Similarity Score:
44.44%
Best Match:
CHEMBL479224

ADRB2_HUMAN

Docking Scores:
-7.04 -6.83 -8.98
Similarity Score:
34.23%
Best Match:
CHEMBL417709

AGTR2_HUMAN

Docking Scores:
-8.09 -7.58 -8.02
Similarity Score:
31.50%
Best Match:
CHEMBL3350599

ALDR_HUMAN

Docking Scores:
-8.44 -8.34 -7.81
Similarity Score:
20.00%
Best Match:
CHEMBL249447

AMPN_HUMAN

Docking Scores:
-7.86 -7.59 -7.91
Similarity Score:
47.13%
Best Match:
CHEMBL28650

AOFA_HUMAN

Docking Scores:
-9.28 -9.44 -8.36
Similarity Score:
25.00%
Best Match:
CHEMBL4073457

AOFB_HUMAN

Docking Scores:
-9.71 -9.78 -9.65
Similarity Score:
29.52%
Best Match:
CHEMBL3604126

BACE1_HUMAN

Docking Scores:
-7.10 -7.18 -8.11
Similarity Score:
62.50%
Best Match:
CHEMBL461602

CAH2_HUMAN

Docking Scores:
-6.80 -6.75 -6.76
Similarity Score:
43.59%
Best Match:
CHEMBL3400156

CASP1_HUMAN

Docking Scores:
-6.45 -6.90 -6.06
Similarity Score:
50.62%
Best Match:
CHEMBL285638

CDK5_HUMAN

Docking Scores:
-7.06 -8.59 -4.91
Similarity Score:
32.53%
Best Match:
CHEMBL1994526

CHLE_HUMAN

Docking Scores:
-8.66 -8.26 -8.13
Similarity Score:
61.02%
Best Match:
CHEMBL1512936

CNR1_HUMAN

Docking Scores:
-7.01 -8.71 -8.98
Similarity Score:
57.14%
Best Match:
CHEMBL483143

CNR2_HUMAN

Docking Scores:
-8.47 -9.09
Similarity Score:
48.91%
Best Match:
CHEMBL1765271

COLI_HUMAN

Docking Scores:
-8.32 -7.36 -6.57
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-6.06 -5.92 -5.89
Similarity Score:
18.18%
Best Match:
CHEMBL3819488

CRP_HUMAN

Docking Scores:
-6.16 -6.42
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
-5.22
Similarity Score:
20.54%
Best Match:
CHEMBL556862

CXCR4_HUMAN

Docking Scores:
-8.22 -6.36 -7.94
Similarity Score:
33.88%
Best Match:
CHEMBL366033

DRD2_HUMAN

Docking Scores:
-7.14
Similarity Score:
50.75%
Best Match:
CHEMBL317488

DRD3_HUMAN

Docking Scores:
-8.28
Similarity Score:
47.44%
Best Match:
CHEMBL80571

DRD4_HUMAN

Docking Scores:
-8.51 -8.39
Similarity Score:
45.05%
Best Match:
CHEMBL274047

EDN1_HUMAN

Docking Scores:
-8.23
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-8.15 -7.40 -7.51
Similarity Score:
42.39%
Best Match:
CHEMBL1222035

FABP5_HUMAN

Docking Scores:
-8.61 -5.94 -5.70
Similarity Score:
32.14%
Best Match:
CHEMBL82293

FYN_HUMAN

Docking Scores:
-8.00
Similarity Score:
49.40%
Best Match:
CHEMBL407135

GLRA3_HUMAN

Docking Scores:
-8.46 -8.37 -8.39
Similarity Score:
13.43%
Best Match:
CHEMBL4070615

GLRA3_HUMAN

Docking Scores:
-9.21
Similarity Score:
13.43%
Best Match:
CHEMBL4070615

GRM5_HUMAN

Docking Scores:
-9.12 -5.47 -6.65
Similarity Score:
58.93%
Best Match:
CHEMBL1783985

HPGDS_HUMAN

Docking Scores:
-7.63 -5.92 -5.91
Similarity Score:
26.39%
Best Match:
CHEMBL3650202

HRH1_HUMAN

Docking Scores:
-6.92
Similarity Score:
34.95%
Best Match:
CHEMBL1276860

HYES_HUMAN

Docking Scores:
-8.42 -7.74 -7.74
Similarity Score:
60.00%
Best Match:
CHEMBL192273

IKKB_HUMAN

Docking Scores:
-6.02
Similarity Score:
28.57%
Best Match:
CHEMBL1762621

MDR1_HUMAN

Docking Scores:
-7.86 -8.71
Similarity Score:
65.00%
Best Match:
CHEMBL2075030

MIF_HUMAN

Docking Scores:
-4.93 -7.21 -5.89
Similarity Score:
21.29%
Best Match:
CHEMBL554271

MK01_HUMAN

Docking Scores:
-7.03 -7.82 -6.89
Similarity Score:
39.25%
Best Match:
CHEMBL3752989

MK03_HUMAN

Docking Scores:
-7.75 -7.19 -7.60
Similarity Score:
35.14%
Best Match:
CHEMBL3113587

MTOR_HUMAN

Docking Scores:
-8.45 -8.41 -8.12
Similarity Score:
43.68%
Best Match:
CHEMBL3972399

NEP_HUMAN

Docking Scores:
-7.60 -7.42 -7.15
Similarity Score:
69.49%
Best Match:
CHEMBL211529

NK1R_HUMAN

Docking Scores:
-8.31 -8.44 -8.88
Similarity Score:
38.89%
Best Match:
CHEMBL156933

NMDE1_HUMAN

Docking Scores:
-8.44 -7.96 -7.62
Similarity Score:
10.43%
Best Match:
CHEMBL284237

NMDE2_HUMAN

Docking Scores:
-7.52 -7.80 -6.65
Similarity Score:
30.69%
Best Match:
CHEMBL217955

NMDZ1_HUMAN

Docking Scores:
-8.41 -8.06 -7.62
Similarity Score:
21.71%
Best Match:
CHEMBL354003

NOS1_HUMAN

Docking Scores:
-7.86 -8.12 -8.31
Similarity Score:
45.45%
Best Match:
CHEMBL11471

NOS2_HUMAN

Docking Scores:
-7.22 -7.81 -8.16
Similarity Score:
51.56%
Best Match:
CHEMBL7889

NTRK1_HUMAN

Docking Scores:
-7.49 -7.48 -7.37
Similarity Score:
23.75%
Best Match:
CHEMBL485556

OPRD_HUMAN

Docking Scores:
-6.84 -6.45 -6.75
Similarity Score:
50.00%
Best Match:
CHEMBL3912364

OPRK_HUMAN

Docking Scores:
-8.67 -9.23 -7.89
Similarity Score:
51.79%
Best Match:
CHEMBL3890935

OPRM_MOUSE

Docking Scores:
-7.85 -7.55
Similarity Score:
44.33%
Best Match:
CHEMBL440765

OPRX_HUMAN

Docking Scores:
-7.26 -7.30 -7.67
Similarity Score:
44.00%
Best Match:
CHEMBL282195

P2RX3_HUMAN

Docking Scores:
-6.04 -5.26 -5.47
Similarity Score:
29.05%
Best Match:
CHEMBL3669852

P2Y12_HUMAN

Docking Scores:
-6.98 -7.74 -6.80
Similarity Score:
33.61%
Best Match:
CHEMBL599606

PAR1_HUMAN

Docking Scores:
-8.44
Similarity Score:
49.30%
Best Match:
CHEMBL80672

PDE4B_HUMAN

Docking Scores:
-8.02 -7.39 -8.22
Similarity Score:
31.93%
Best Match:
CHEMBL144499

PDE5A_HUMAN

Docking Scores:
-7.19 -8.35 -8.21
Similarity Score:
28.91%
Best Match:
CHEMBL190423

PERM_HUMAN

Docking Scores:
-7.66 -7.81 -7.74
Similarity Score:
25.62%
Best Match:
CHEMBL1409565

PGH1_SHEEP

Docking Scores:
-7.37 -8.95 -5.85
Similarity Score:
33.94%
Best Match:
CHEMBL3809863

PGH2_HUMAN

Docking Scores:
-7.86 -6.46 -6.76
Similarity Score:
42.25%
Best Match:
CHEMBL3809958

PPAP_HUMAN

Docking Scores:
-7.63
Similarity Score:
8.04%
Best Match:
CHEMBL501717

PPARG_HUMAN

Docking Scores:
-6.73 -6.71 -7.04
Similarity Score:
54.05%
Best Match:
CHEMBL1836976

PRGR_HUMAN

Docking Scores:
-9.06 -9.13 -8.49
Similarity Score:
30.00%
Best Match:
CHEMBL503848

PTGES_HUMAN

Docking Scores:
-7.01
Similarity Score:
43.48%
Best Match:
CHEMBL3919693

SC6A4_HUMAN

Docking Scores:
-8.65 -8.56 -8.96
Similarity Score:
41.54%
Best Match:
CHEMBL2021577

SCN9A_HUMAN

Docking Scores:
-7.67
Similarity Score:
34.29%
Best Match:
CHEMBL206758

TLR4_HUMAN

Docking Scores:
-7.70 -7.21 -7.59
Similarity Score:
30.39%
Best Match:
CHEMBL1223752

TNFA_HUMAN

Docking Scores:
-7.73
Similarity Score:
30.82%
Best Match:
CHEMBL3806296

TRBM_HUMAN

Docking Scores:
-7.08 -7.45
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

Docking Scores:
-7.41 -6.59
Similarity Score:
N/A
Best Match:
N/A

TRPM8_FICAL

Docking Scores:
-8.78
Similarity Score:
N/A
Best Match:
N/A

TRPV1_RAT

Docking Scores:
-8.54
Similarity Score:
37.66%
Best Match:
CHEMBL15848

TRPV2_RABIT

Docking Scores:
-9.05 -6.76
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-7.22 -7.29
Similarity Score:
29.21%
Best Match:
CHEMBL73188

TRXR1_HUMAN

Docking Scores:
-7.72 -7.41 -6.36
Similarity Score:
N/A
Best Match:
N/A

TRY1_HUMAN

Docking Scores:
-5.67
Similarity Score:
58.21%
Best Match:
CHEMBL289395