WangYuanqiang #189 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

Protein Symbol Approved Name Docking Scores Similarity
Score
Best Match Prediction
Model 1 Model 2 Model 3 Result Confidence Level
5HT1A_HUMAN 5-hydroxytryptamine receptor 1A -6.82 -7.05 -6.80 39.13% CHEMBL3769446 Active 59.82%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -6.95 -7.25 -7.17 38.89% CHEMBL73281 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -7.05 -7.16 -5.97 38.89% CHEMBL73281 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -6.82 -6.57 -6.82 22.22% CHEMBL39 Inactive 61.19%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -6.76 -7.76 -6.93 24.30% CHEMBL318110 Inactive 74.81%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -7.38 -7.27 N/A 50.00% CHEMBL104088 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.22 -8.14 -7.29 52.00% CHEMBL475643 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.00 -8.13 N/A 52.00% CHEMBL475643 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -8.03 -7.98 -7.30 25.00% CHEMBL309655 Inactive 80.89%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -7.24 -7.05 -6.97 30.53% CHEMBL161507 Inactive 62.98%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -6.65 -6.71 -7.25 39.39% CHEMBL17157 Inactive 50.53%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -6.95 -7.71 -6.75 42.11% CHEMBL443757 Inactive 57.08%
AA1R_HUMAN adenosine A1 receptor -7.23 -7.03 -7.92 31.46% CHEMBL1544 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -7.12 -7.39 -7.43 26.39% CHEMBL86771 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -7.21 -7.27 -6.80 28.33% CHEMBL2113345 Inactive 57.74%
AA3R_HUMAN adenosine A3 receptor -8.05 -8.09 -7.02 50.00% CHEMBL701 Active 70.42%
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.76 -7.22 N/A 51.52% CHEMBL2164888 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -7.18 -6.57 -7.75 50.75% CHEMBL1191560 Inactive 53.37%
ACM3_HUMAN cholinergic receptor muscarinic 3 -6.70 -7.44 -7.82 50.75% CHEMBL1191560 Active 54.60%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.86 -7.83 N/A 50.00% CHEMBL2377392 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -7.33 -7.42 -7.95 48.57% CHEMBL2107687 Active 85.92%
ACTHR_HUMAN melanocortin 2 receptor -8.01 -7.90 -7.87 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -6.63 -6.85 -6.99 42.35% CHEMBL41677 Active 57.19%
ADA2A_HUMAN adrenoceptor alpha 2A -7.33 -7.61 -6.44 54.35% CHEMBL61006 Active 93.33%
ADA2B_HUMAN adrenoceptor alpha 2B -8.31 -8.28 -8.42 41.27% CHEMBL1076211 Active 73.13%
ADA2C_HUMAN adrenoceptor alpha 2C -4.92 -4.32 -4.52 39.39% CHEMBL17157 Inactive 68.39%
ADRB1_HUMAN adrenoceptor beta 1 -7.02 -7.40 -7.53 42.67% CHEMBL408694 Active 69.45%
ADRB2_HUMAN adrenoceptor beta 2 -6.74 -8.09 -7.38 37.33% CHEMBL1332942 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -7.29 -8.34 -7.06 42.67% CHEMBL408694 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -7.17 -7.19 -6.89 30.69% CHEMBL128416 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -7.38 -7.59 -7.37 30.56% CHEMBL121565 Inactive 84.08%
CALCR_HUMAN calcitonin receptor -6.40 -6.58 -6.53 18.79% CHEMBL2369895 Inactive 93.37%
CCKAR_HUMAN cholecystokinin A receptor -6.47 -6.60 -7.78 23.84% CHEMBL249560 Inactive 94.40%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.52 -8.00 -6.43 40.45% CHEMBL356718 Inactive 97.94%
CCR2_HUMAN C-C motif chemokine receptor 2 -6.88 -6.85 -6.44 37.97% CHEMBL3754764 Inactive 98.37%
CCR4_HUMAN C-C motif chemokine receptor 4 -6.43 -6.60 -8.09 19.67% CHEMBL397845 Inactive 85.00%
CCR5_HUMAN C-C motif chemokine receptor 5 -6.71 -6.69 -6.85 45.57% CHEMBL100336 Inactive 95.44%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -6.90 -7.49 -8.13 33.70% CHEMBL22776 Inactive 96.38%
CNR1_HUMAN cannabinoid receptor 1 -7.43 -7.51 -7.98 51.61% CHEMBL391380 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -7.61 -7.51 N/A 55.32% CHEMBL264412 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.43 N/A N/A 44.62% CHEMBL191413 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -7.23 -6.36 -5.85 44.62% CHEMBL191413 Active 62.54%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -7.86 -7.71 -7.68 29.91% CHEMBL458422 Inactive 97.88%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.11 -5.46 -6.38 25.00% CHEMBL2180085 N/A N/A
DRD1_HUMAN dopamine receptor D1 -7.30 -6.61 -7.22 34.52% CHEMBL305660 Inactive 73.70%
DRD2_HUMAN dopamine receptor D2 -7.04 N/A N/A 38.89% CHEMBL1258270 N/A N/A
DRD3_HUMAN dopamine receptor D3 -7.07 N/A N/A 39.71% CHEMBL1765637 N/A N/A
DRD4_HUMAN dopamine receptor D4 -7.20 -7.21 N/A 38.89% CHEMBL1258270 N/A N/A
DRD5_HUMAN dopamine receptor D5 -7.94 -7.63 -7.47 32.95% CHEMBL54 Inactive 82.35%
EDNRA_HUMAN endothelin receptor type A -5.92 -6.43 -6.41 38.89% CHEMBL290026 Inactive 80.32%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -6.52 -6.46 -7.83 19.13% CHEMBL2391908 Inactive 91.33%
GASR_HUMAN cholecystokinin B receptor -6.50 -6.90 -6.01 28.89% CHEMBL38874 Inactive 91.59%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.73 -8.06 -8.18 36.84% CHEMBL254372 Inactive 69.71%
GRM2_HUMAN glutamate metabotropic receptor 2 -7.64 -8.43 -8.06 44.44% CHEMBL2112585 Active 69.17%
GRM3_HUMAN glutamate metabotropic receptor 3 -9.47 -9.02 -9.18 44.44% CHEMBL2112584 Active 52.30%
GRM4_HUMAN glutamate metabotropic receptor 4 -6.54 -6.60 -6.46 22.14% CHEMBL3901929 Inactive 94.04%
GRM5_HUMAN glutamate metabotropic receptor 5 -7.45 -8.06 -8.11 42.65% CHEMBL1682794 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -8.14 -8.04 -8.26 17.24% CHEMBL280563 Inactive 97.74%
GRM7_HUMAN glutamate metabotropic receptor 7 -6.90 -6.67 -7.03 29.47% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -6.07 -6.97 -6.87 46.38% CHEMBL143210 Inactive 97.98%
HRH1_HUMAN histamine receptor H1 -8.05 N/A N/A 54.55% CHEMBL914 N/A N/A
HRH2_HUMAN histamine receptor H2 -8.42 -6.70 -8.56 37.65% CHEMBL1627 Active 93.25%
HRH3_HUMAN histamine receptor H3 -7.26 -6.71 -6.69 51.56% CHEMBL3427233 Active 78.55%
HRH4_HUMAN histamine receptor H4 -6.98 -7.06 -6.91 37.04% CHEMBL489493 Active 73.01%
MC3R_HUMAN melanocortin 3 receptor -7.39 -7.21 -6.33 27.62% CHEMBL272099 Inactive 74.74%
MC4R_HUMAN melanocortin 4 receptor -5.94 -5.99 -6.56 33.33% CHEMBL371896 Inactive 79.47%
MC5R_HUMAN melanocortin 5 receptor -6.21 -6.93 -6.18 26.17% CHEMBL185862 Inactive 57.35%
MSHR_HUMAN melanocortin 1 receptor -7.71 -6.93 -7.43 27.45% CHEMBL1091631 Inactive 75.49%
NK1R_HUMAN tachykinin receptor 1 -6.92 -7.25 -6.57 43.75% CHEMBL56811 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -7.11 -7.78 -6.89 39.39% CHEMBL17157 Inactive 98.80%
NPBW1_HUMAN neuropeptides B and W receptor 1 -6.41 -6.11 -6.54 20.95% CHEMBL2314288 Inactive 95.46%
NPFF1_HUMAN neuropeptide FF receptor 1 -6.83 -6.35 -6.45 27.55% CHEMBL2208317 Inactive 87.44%
NPSR1_HUMAN neuropeptide S receptor 1 -6.84 -7.49 -6.61 29.79% CHEMBL3086828 Inactive 80.29%
NPY1R_HUMAN neuropeptide Y receptor Y1 -7.70 -7.47 -7.37 32.22% CHEMBL558133 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -6.88 -6.27 -6.08 31.82% CHEMBL3559801 Inactive 61.05%
NPY4R_HUMAN neuropeptide Y receptor Y4 -6.77 -6.94 -6.50 31.82% CHEMBL3559801 Active 90.59%
NPY5R_HUMAN neuropeptide Y receptor Y5 -6.43 -6.44 -6.37 31.82% CHEMBL3559801 Inactive 89.35%
OPRD_HUMAN opioid receptor delta 1 -6.63 -6.50 -6.30 38.46% CHEMBL201038 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -7.68 -7.49 -6.96 42.86% CHEMBL651 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -6.72 -6.38 -7.00 48.57% CHEMBL607 Inactive 87.55%
OPRX_HUMAN opioid related nociceptin receptor 1 -6.35 -6.38 -6.89 41.86% CHEMBL186300 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -7.76 -7.73 -7.62 29.07% CHEMBL297624 Inactive 73.36%
TAAR1_HUMAN trace amine associated receptor 1 -7.88 -7.11 -7.19 50.00% CHEMBL19393 Active 90.67%
TSHR_HUMAN thyroid stimulating hormone receptor -7.49 -7.65 -7.45 24.32% CHEMBL3969230 Inactive 95.72%
V1AR_HUMAN arginine vasopressin receptor 1A -6.54 -6.23 -7.88 35.23% CHEMBL1807264 Inactive 93.20%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -6.91 -6.67 -6.79 18.56% CHEMBL3884667 N/A N/A