test #583 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 -5.88 -5.84 -5.47 35.38% CHEMBL1255086 Inactive 74.68%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -6.04 -6.32 -5.90 33.90% CHEMBL2112766 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -5.96 -5.93 -6.10 29.69% CHEMBL140416 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -6.21 -6.34 -5.64 24.68% CHEMBL39 Inactive 56.81%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -5.70 -5.54 -6.13 24.68% CHEMBL39 Inactive 81.81%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -6.16 -5.63 N/A 34.85% CHEMBL272942 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.22 -5.85 -6.27 37.04% CHEMBL558 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -5.69 -6.37 N/A 34.85% CHEMBL272942 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -6.21 -6.14 -5.86 37.50% CHEMBL1258451 Inactive 61.00%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -5.85 -5.88 -5.69 27.38% CHEMBL365084 Active 52.39%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -5.94 -5.61 -5.92 30.38% CHEMBL41 Inactive 82.98%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -5.54 -6.02 -5.60 31.33% CHEMBL3262419 Inactive 51.89%
AA1R_HUMAN adenosine A1 receptor -5.62 -5.54 -5.85 35.82% CHEMBL1487093 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -5.35 -5.94 -5.75 35.82% CHEMBL1487093 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -6.05 -6.78 -5.93 35.82% CHEMBL1487093 Active 51.30%
AA3R_HUMAN adenosine A3 receptor -5.84 -5.85 -5.66 35.82% CHEMBL1487093 Active 61.10%
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.03 -6.33 N/A 39.68% CHEMBL4102555 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -5.83 -5.59 -5.91 35.00% CHEMBL1290634 Active 62.48%
ACM3_HUMAN cholinergic receptor muscarinic 3 -5.60 -6.20 -6.39 39.68% CHEMBL4102555 Inactive 61.81%
ACM4_HUMAN cholinergic receptor muscarinic 4 -5.88 -5.86 N/A 33.85% CHEMBL55 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -6.09 -5.81 -6.14 30.38% CHEMBL41 Inactive 80.34%
ACTHR_HUMAN melanocortin 2 receptor -7.19 -6.71 -5.67 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -5.35 -5.17 -5.17 38.98% CHEMBL679 Active 53.27%
ADA2A_HUMAN adrenoceptor alpha 2A -6.22 -6.24 -6.45 42.59% CHEMBL1437 Active 78.23%
ADA2B_HUMAN adrenoceptor alpha 2B -6.63 -6.53 -6.48 42.59% CHEMBL1437 Active 65.70%
ADA2C_HUMAN adrenoceptor alpha 2C -5.87 -6.06 -6.14 42.59% CHEMBL1437 Active 68.41%
ADRB1_HUMAN adrenoceptor beta 1 -6.09 -6.13 -5.96 40.24% CHEMBL520903 Active 52.80%
ADRB2_HUMAN adrenoceptor beta 2 -6.20 -6.38 -6.39 44.78% CHEMBL1902287 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -6.40 -6.64 -6.31 42.59% CHEMBL1437 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -5.32 -5.74 -5.60 23.30% CHEMBL376286 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -5.92 -6.25 -5.81 26.39% CHEMBL121565 Inactive 87.58%
CALCR_HUMAN calcitonin receptor -5.48 -5.17 -5.84 15.85% CHEMBL4565938 Active 77.43%
CCKAR_HUMAN cholecystokinin A receptor -5.20 -5.56 -6.56 24.26% CHEMBL1784685 Inactive 96.14%
CCR1_HUMAN C-C motif chemokine receptor 1 -5.53 -6.60 -5.29 34.38% CHEMBL3138187 Inactive 98.35%
CCR2_HUMAN C-C motif chemokine receptor 2 -5.64 -5.39 -5.17 35.11% CHEMBL1171788 Inactive 92.74%
CCR4_HUMAN C-C motif chemokine receptor 4 -5.70 -5.89 -5.93 30.38% CHEMBL1618631 Inactive 77.36%
CCR5_HUMAN C-C motif chemokine receptor 5 -6.51 -5.20 -6.72 29.55% CHEMBL319689 Inactive 99.54%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -5.92 -6.37 -6.38 35.71% CHEMBL127842 Inactive 97.18%
CNR1_HUMAN cannabinoid receptor 1 -5.43 -5.59 -6.01 46.43% CHEMBL243334 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -5.72 -6.10 N/A 46.43% CHEMBL243334 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.50 N/A N/A 23.62% CHEMBL464302 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -6.38 -5.50 -4.88 28.70% CHEMBL380052 Inactive 63.10%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -5.87 -5.88 -5.85 26.04% CHEMBL1085258 Inactive 97.34%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -6.35 -5.44 -5.56 27.91% CHEMBL126657 N/A N/A
DRD1_HUMAN dopamine receptor D1 -5.88 -5.68 -6.20 83.33% CHEMBL441343 Active 88.55%
DRD2_HUMAN dopamine receptor D2 -5.22 N/A N/A 42.59% CHEMBL1437 N/A N/A
DRD3_HUMAN dopamine receptor D3 -5.94 N/A N/A 46.55% CHEMBL286494 N/A N/A
DRD4_HUMAN dopamine receptor D4 -6.12 -6.11 N/A 37.93% CHEMBL59326 N/A N/A
DRD5_HUMAN dopamine receptor D5 -6.99 -7.05 -6.09 35.29% CHEMBL59 Inactive 91.73%
EDNRA_HUMAN endothelin receptor type A -4.91 -5.28 -6.70 29.33% CHEMBL290026 Inactive 86.89%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -5.79 -5.91 -7.77 13.56% CHEMBL2391908 Inactive 90.44%
GASR_HUMAN cholecystokinin B receptor -5.67 -5.28 -5.25 22.83% CHEMBL38874 Inactive 94.04%
GRM1_HUMAN glutamate metabotropic receptor 1 -6.36 -6.46 -6.33 26.80% CHEMBL441844 Inactive 88.26%
GRM2_HUMAN glutamate metabotropic receptor 2 -6.69 -6.82 -6.62 33.33% CHEMBL3892611 Inactive 72.64%
GRM3_HUMAN glutamate metabotropic receptor 3 -7.07 -7.09 -6.84 32.05% CHEMBL2112634 Inactive 66.40%
GRM4_HUMAN glutamate metabotropic receptor 4 -5.53 -4.99 -5.10 25.77% CHEMBL561835 Inactive 95.54%
GRM5_HUMAN glutamate metabotropic receptor 5 -6.52 -6.57 -6.53 38.27% CHEMBL1348198 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -6.01 -6.03 -6.14 19.01% CHEMBL566136 Inactive 93.86%
GRM7_HUMAN glutamate metabotropic receptor 7 -6.12 -5.92 -6.32 23.71% CHEMBL432038 Inactive 99.81%
GRM8_HUMAN glutamate metabotropic receptor 8 -5.87 -5.96 -5.77 34.25% CHEMBL143210 Inactive 98.35%
HRH1_HUMAN histamine receptor H1 -7.05 N/A N/A 36.62% CHEMBL570033 N/A N/A
HRH2_HUMAN histamine receptor H2 -7.43 -5.65 -6.39 28.00% CHEMBL490632 Active 77.68%
HRH3_HUMAN histamine receptor H3 -5.72 -5.41 -5.44 41.43% CHEMBL544242 Active 86.42%
HRH4_HUMAN histamine receptor H4 -5.87 -5.81 -5.74 29.85% CHEMBL4072893 Active 50.57%
MC3R_HUMAN melanocortin 3 receptor -5.91 -5.48 -6.05 20.00% CHEMBL392092 Inactive 82.33%
MC4R_HUMAN melanocortin 4 receptor -4.88 -4.71 -4.78 25.74% CHEMBL1380969 Inactive 94.43%
MC5R_HUMAN melanocortin 5 receptor -5.69 -5.77 -5.39 23.36% CHEMBL3907645 Inactive 69.78%
MSHR_HUMAN melanocortin 1 receptor -5.74 -5.15 -6.89 19.81% CHEMBL379054 Inactive 57.84%
NK1R_HUMAN tachykinin receptor 1 -5.76 -5.43 -5.37 29.87% CHEMBL93909 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -5.32 -5.09 -5.47 42.65% CHEMBL4111499 Inactive 99.13%
NPBW1_HUMAN neuropeptides B and W receptor 1 -5.27 -5.60 -5.75 20.44% CHEMBL1706758 Inactive 92.07%
NPFF1_HUMAN neuropeptide FF receptor 1 -5.52 -5.25 -5.37 21.85% CHEMBL3361432 Inactive 61.23%
NPSR1_HUMAN neuropeptide S receptor 1 -5.46 -6.29 -5.86 20.20% CHEMBL3086828 Inactive 82.72%
NPY1R_HUMAN neuropeptide Y receptor Y1 -6.01 -6.30 -5.70 31.25% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -5.85 -5.16 -5.18 31.25% CHEMBL3559801 Active 50.35%
NPY4R_HUMAN neuropeptide Y receptor Y4 -5.64 -5.41 -5.17 31.25% CHEMBL3559801 Active 94.73%
NPY5R_HUMAN neuropeptide Y receptor Y5 -5.77 -6.54 -5.85 31.25% CHEMBL3559801 Inactive 91.24%
OPRD_HUMAN opioid receptor delta 1 -5.70 -4.46 -5.07 39.39% CHEMBL340699 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -5.66 -5.78 -6.11 33.33% CHEMBL1188090 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -6.22 -5.52 -5.52 33.77% CHEMBL423726 Inactive 93.05%
OPRX_HUMAN opioid related nociceptin receptor 1 -5.46 -5.31 -5.42 28.74% CHEMBL233493 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -5.79 -6.17 -6.15 27.06% CHEMBL297624 Inactive 85.57%
TAAR1_HUMAN trace amine associated receptor 1 -5.95 -5.84 -5.47 46.34% CHEMBL406341 Active 82.65%
TSHR_HUMAN thyroid stimulating hormone receptor -5.98 -6.19 -6.05 24.22% CHEMBL1331194 Inactive 91.14%
V1AR_HUMAN arginine vasopressin receptor 1A -5.90 -5.76 -6.43 27.43% CHEMBL3416859 Inactive 96.79%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -5.73 -5.88 -5.75 24.26% CHEMBL1784685 N/A N/A