laura #289 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1B_HUMAN

Docking Scores:
-12.48 -12.13 -10.85
Similarity Score:
57.89%
Best Match:
CHEMBL146942

5HT2A_HUMAN

Docking Scores:
-14.76 -11.30
Similarity Score:
64.58%
Best Match:
CHEMBL475642

5HT2B_HUMAN

Docking Scores:
-11.81 -10.23 -11.07
Similarity Score:
64.58%
Best Match:
CHEMBL475642

5HT2C_HUMAN

Docking Scores:
-11.65 -11.53
Similarity Score:
64.58%
Best Match:
CHEMBL475642

AA1R_HUMAN

Docking Scores:
-12.16 -12.81 -9.60
Similarity Score:
26.98%
Best Match:
CHEMBL331504

AA2AR_HUMAN

Docking Scores:
-11.13 -11.56 -12.90
Similarity Score:
27.78%
Best Match:
CHEMBL86771

ACES_HUMAN

Docking Scores:
-12.36 -10.58 -10.93
Similarity Score:
62.22%
Best Match:
CHEMBL185896

ACE_HUMAN

Docking Scores:
-10.35 -11.13 -7.52
Similarity Score:
35.35%
Best Match:
CHEMBL149367

ACHA9_HUMAN

Docking Scores:
-9.31
Similarity Score:
16.17%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
7.89 3.73 -3.68
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-5.90 30.89
Similarity Score:
55.17%
Best Match:
CHEMBL21731

ACM4_HUMAN

Docking Scores:
-7.10 -9.76
Similarity Score:
55.17%
Best Match:
CHEMBL21731

ADRB2_HUMAN

Docking Scores:
-8.11 -8.45 -10.30
Similarity Score:
38.46%
Best Match:
CHEMBL1800935

AGTR2_HUMAN

Docking Scores:
-10.50 -10.49 -10.45
Similarity Score:
25.47%
Best Match:
CHEMBL128416

ALDR_HUMAN

Docking Scores:
-11.03 -11.52 -10.18
Similarity Score:
36.51%
Best Match:
CHEMBL77283

AMPN_HUMAN

Docking Scores:
-11.18 -10.81 -11.85
Similarity Score:
50.00%
Best Match:
CHEMBL1821978

AOFA_HUMAN

Docking Scores:
-10.52 -7.26 -0.43
Similarity Score:
56.25%
Best Match:
CHEMBL3330334

AOFB_HUMAN

Docking Scores:
-3.86 -0.57 -3.64
Similarity Score:
56.25%
Best Match:
CHEMBL3330330

BACE1_HUMAN

Docking Scores:
-9.73 -10.50 -11.84
Similarity Score:
38.71%
Best Match:
CHEMBL3964236

CAH2_HUMAN

Docking Scores:
-8.58 -9.52 -9.41
Similarity Score:
49.32%
Best Match:
CHEMBL1628081

CASP1_HUMAN

Docking Scores:
-6.91 -8.26 -6.77
Similarity Score:
37.97%
Best Match:
CHEMBL466565

CDK5_HUMAN

Docking Scores:
-10.31 -10.09 -6.84
Similarity Score:
39.73%
Best Match:
CHEMBL1988201

CHLE_HUMAN

Docking Scores:
-11.63 -10.99 -10.79
Similarity Score:
37.50%
Best Match:
CHEMBL330883

CNR1_HUMAN

Docking Scores:
-7.99 -11.60 -8.57
Similarity Score:
53.45%
Best Match:
CHEMBL233182

CNR2_HUMAN

Docking Scores:
-9.35 -11.96
Similarity Score:
68.18%
Best Match:
CHEMBL264412

COLI_HUMAN

Docking Scores:
-9.53 -8.79 -10.92
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-8.24 -8.87 -8.49
Similarity Score:
22.81%
Best Match:
CHEMBL3425731

CRP_HUMAN

Docking Scores:
-6.76 -6.83
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
18.25
Similarity Score:
28.38%
Best Match:
CHEMBL191413

CXCR4_HUMAN

Docking Scores:
-10.39 -8.52 -9.65
Similarity Score:
25.38%
Best Match:
CHEMBL1644073

DRD2_HUMAN

Docking Scores:
-11.90
Similarity Score:
55.17%
Best Match:
CHEMBL21731

DRD3_HUMAN

Docking Scores:
-11.13
Similarity Score:
55.17%
Best Match:
CHEMBL21731

DRD4_HUMAN

Docking Scores:
-10.70 -9.69
Similarity Score:
44.62%
Best Match:
CHEMBL1242950

EDN1_HUMAN

Docking Scores:
-9.31
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-7.43 -8.07 -7.98
Similarity Score:
72.00%
Best Match:
CHEMBL135236

FABP5_HUMAN

Docking Scores:
-10.01 -7.42 -7.17
Similarity Score:
20.59%
Best Match:
CHEMBL212860

FYN_HUMAN

Docking Scores:
-12.11
Similarity Score:
39.13%
Best Match:
CHEMBL1975923

GLRA3_HUMAN

Docking Scores:
-11.34 -10.39 -10.57
Similarity Score:
11.27%
Best Match:
CHEMBL4070615

GLRA3_HUMAN

Docking Scores:
-11.91
Similarity Score:
11.27%
Best Match:
CHEMBL4070615

GRM5_HUMAN

Docking Scores:
2.37 9.37 8.10
Similarity Score:
47.83%
Best Match:
CHEMBL1682795

HPGDS_HUMAN

Docking Scores:
-10.59 -8.69 -7.55
Similarity Score:
18.63%
Best Match:
CHEMBL3907283

HRH1_HUMAN

Docking Scores:
-1.17
Similarity Score:
56.86%
Best Match:
CHEMBL158780

HYES_HUMAN

Docking Scores:
-11.33 -11.33 -11.71
Similarity Score:
40.23%
Best Match:
CHEMBL1358

IKKB_HUMAN

Docking Scores:
-12.76
Similarity Score:
41.56%
Best Match:
CHEMBL3318321

MDR1_HUMAN

Docking Scores:
-10.42 -11.60
Similarity Score:
62.50%
Best Match:
CHEMBL193482

MIF_HUMAN

Docking Scores:
-6.63 -9.43 -7.91
Similarity Score:
27.52%
Best Match:
CHEMBL209588

MK01_HUMAN

Docking Scores:
-8.75 -10.59 -8.94
Similarity Score:
45.83%
Best Match:
CHEMBL1909070

MK03_HUMAN

Docking Scores:
-9.79 -11.12 -9.88
Similarity Score:
21.10%
Best Match:
CHEMBL3113587

MTOR_HUMAN

Docking Scores:
-12.88 -13.36 -12.54
Similarity Score:
30.77%
Best Match:
CHEMBL2348411

NEP_HUMAN

Docking Scores:
-8.69 -8.39 -8.25
Similarity Score:
46.15%
Best Match:
CHEMBL4100250

NK1R_HUMAN

Docking Scores:
-10.97 -12.23 -11.76
Similarity Score:
49.21%
Best Match:
CHEMBL143813

NMDE1_HUMAN

Docking Scores:
-8.36 -8.50 -8.16
Similarity Score:
31.33%
Best Match:
CHEMBL284237

NMDE2_HUMAN

Docking Scores:
-9.90 -7.99 -9.32
Similarity Score:
59.26%
Best Match:
CHEMBL296601

NMDZ1_HUMAN

Docking Scores:
-8.36 -8.45 -8.16
Similarity Score:
24.77%
Best Match:
CHEMBL419399

NOS1_HUMAN

Docking Scores:
-9.89 -10.00 -9.12
Similarity Score:
36.00%
Best Match:
CHEMBL6875

NOS2_HUMAN

Docking Scores:
-4.85 -9.41 0.47
Similarity Score:
33.33%
Best Match:
CHEMBL450583

NTRK1_HUMAN

Docking Scores:
-12.12 -12.67 -12.24
Similarity Score:
24.77%
Best Match:
CHEMBL1978371

OPRD_HUMAN

Docking Scores:
-10.84 -9.01 -10.04
Similarity Score:
50.00%
Best Match:
CHEMBL294226

OPRK_HUMAN

Docking Scores:
-12.34 -12.11 -10.72
Similarity Score:
51.61%
Best Match:
CHEMBL421038

OPRM_MOUSE

Docking Scores:
-10.95 -10.92
Similarity Score:
45.45%
Best Match:
CHEMBL2368127

OPRX_HUMAN

Docking Scores:
-9.87 -9.59 -9.44
Similarity Score:
50.82%
Best Match:
CHEMBL3787174

P2RX3_HUMAN

Docking Scores:
-7.52 -7.74 -8.11
Similarity Score:
25.40%
Best Match:
CHEMBL596234

P2Y12_HUMAN

Docking Scores:
-10.25 -6.33 -6.50
Similarity Score:
30.30%
Best Match:
CHEMBL420980

PAR1_HUMAN

Docking Scores:
-9.05
Similarity Score:
28.74%
Best Match:
CHEMBL3658406

PDE4B_HUMAN

Docking Scores:
-12.97 -11.60 -11.19
Similarity Score:
32.61%
Best Match:
CHEMBL511115

PDE5A_HUMAN

Docking Scores:
-12.12 -12.41 -12.99
Similarity Score:
20.49%
Best Match:
CHEMBL190423

PERM_HUMAN

Docking Scores:
-11.64 -11.39 -11.23
Similarity Score:
32.56%
Best Match:
CHEMBL1630743

PGH1_SHEEP

Docking Scores:
-2.94 -8.12 -6.28
Similarity Score:
48.98%
Best Match:
CHEMBL175

PGH2_HUMAN

Docking Scores:
2.62 -6.98 -8.00
Similarity Score:
55.56%
Best Match:
CHEMBL441414

PPAP_HUMAN

Docking Scores:
-10.22
Similarity Score:
19.77%
Best Match:
CHEMBL501717

PPARG_HUMAN

Docking Scores:
-9.96 -7.82 -9.38
Similarity Score:
45.95%
Best Match:
CHEMBL75133

PRGR_HUMAN

Docking Scores:
1.66 6.15 -8.29
Similarity Score:
55.56%
Best Match:
CHEMBL511812

PTGES_HUMAN

Docking Scores:
-7.67
Similarity Score:
33.33%
Best Match:
CHEMBL3608370

SC6A4_HUMAN

Docking Scores:
-11.18 -11.47 -11.04
Similarity Score:
75.61%
Best Match:
CHEMBL3769872

SCN9A_HUMAN

Docking Scores:
-7.59
Similarity Score:
37.97%
Best Match:
CHEMBL381488

TLR4_HUMAN

Docking Scores:
-11.13 -11.18 -11.85
Similarity Score:
25.00%
Best Match:
CHEMBL2419477

TNFA_HUMAN

Docking Scores:
-11.29
Similarity Score:
24.27%
Best Match:
CHEMBL76297

TRBM_HUMAN

Docking Scores:
-8.31 -9.57
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

Docking Scores:
-8.65 -9.75
Similarity Score:
N/A
Best Match:
N/A

TRPM8_FICAL

Docking Scores:
-11.54
Similarity Score:
N/A
Best Match:
N/A

TRPV1_RAT

Docking Scores:
-9.40
Similarity Score:
32.11%
Best Match:
CHEMBL493769

TRPV2_RABIT

Docking Scores:
-8.78 -9.36
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-8.84 -8.37
Similarity Score:
29.29%
Best Match:
CHEMBL3828278

TRXR1_HUMAN

Docking Scores:
-10.26 -9.37 -8.63
Similarity Score:
N/A
Best Match:
N/A

TRY1_HUMAN

Docking Scores:
-6.77
Similarity Score:
48.39%
Best Match:
CHEMBL102081