test #573 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 -6.06 -5.89 -6.23 44.07% CHEMBL4648489 Active 53.41%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -6.66 -6.61 -6.57 52.27% CHEMBL73281 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -6.42 -6.26 -6.91 52.27% CHEMBL73281 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -6.39 -6.76 -6.52 26.14% CHEMBL4092027 Inactive 58.40%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -6.42 -6.72 -6.59 26.14% CHEMBL4092027 Inactive 75.82%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -6.84 -6.41 N/A 65.00% CHEMBL445747 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.01 -6.64 -7.01 70.00% CHEMBL475643 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -6.93 -6.77 N/A 70.00% CHEMBL475643 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -7.06 -7.01 -6.76 27.16% CHEMBL4567394 Inactive 64.11%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -6.40 -6.32 -6.32 31.82% CHEMBL161507 Inactive 56.61%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -5.92 -5.95 -6.51 47.37% CHEMBL17157 Inactive 57.22%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -6.19 -6.63 -6.20 44.68% CHEMBL234885 Active 57.97%
AA1R_HUMAN adenosine A1 receptor -6.29 -6.79 -6.91 28.24% CHEMBL103150 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -6.88 -6.79 -6.66 29.23% CHEMBL496 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -6.08 -6.18 -5.75 22.92% CHEMBL67949 Inactive 59.24%
AA3R_HUMAN adenosine A3 receptor -7.43 -7.14 -6.17 29.23% CHEMBL496 Active 56.08%
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.96 -7.23 N/A 46.43% CHEMBL936 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -6.63 -6.15 -6.80 46.43% CHEMBL936 Active 58.58%
ACM3_HUMAN cholinergic receptor muscarinic 3 -5.62 -6.55 -6.80 46.43% CHEMBL936 Inactive 52.65%
ACM4_HUMAN cholinergic receptor muscarinic 4 -6.98 -6.92 N/A 46.43% CHEMBL936 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -6.76 -6.32 -6.70 46.43% CHEMBL936 Inactive 53.62%
ACTHR_HUMAN melanocortin 2 receptor -8.57 -8.30 -7.16 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -6.28 -6.40 -5.96 38.33% CHEMBL926 Active 66.70%
ADA2A_HUMAN adrenoceptor alpha 2A -7.06 -7.00 -6.14 65.79% CHEMBL61006 Active 95.10%
ADA2B_HUMAN adrenoceptor alpha 2B -7.31 -7.42 -7.10 44.68% CHEMBL972 Active 68.84%
ADA2C_HUMAN adrenoceptor alpha 2C -6.96 -6.04 -6.42 47.37% CHEMBL17157 Active 70.66%
ADRB1_HUMAN adrenoceptor beta 1 -6.41 -6.63 -6.41 39.39% CHEMBL566777 Inactive 56.62%
ADRB2_HUMAN adrenoceptor beta 2 -6.89 -7.07 -7.03 41.94% CHEMBL566992 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -7.02 -7.43 -7.03 38.46% CHEMBL1437 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -6.63 -6.78 -6.46 25.49% CHEMBL219840 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -6.43 -6.72 -6.63 30.30% CHEMBL121565 Inactive 85.98%
CALCR_HUMAN calcitonin receptor -6.08 -6.03 -6.48 16.99% CHEMBL4575327 Inactive 86.41%
CCKAR_HUMAN cholecystokinin A receptor -6.28 -6.63 -7.25 19.30% CHEMBL1210154 Inactive 94.14%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.45 -7.14 -6.00 39.39% CHEMBL140270 Inactive 98.61%
CCR2_HUMAN C-C motif chemokine receptor 2 -6.44 -6.20 -5.95 37.84% CHEMBL3752640 Inactive 99.11%
CCR4_HUMAN C-C motif chemokine receptor 4 -5.39 -6.00 -6.81 21.18% CHEMBL1623307 Inactive 83.09%
CCR5_HUMAN C-C motif chemokine receptor 5 -6.30 -6.51 -6.27 47.37% CHEMBL17157 Inactive 98.48%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -6.87 -7.85 -7.17 27.78% CHEMBL22776 Inactive 91.94%
CNR1_HUMAN cannabinoid receptor 1 -6.47 -6.92 -7.01 53.85% CHEMBL233182 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -6.97 -6.90 N/A 71.05% CHEMBL408777 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.61 N/A N/A 36.51% CHEMBL191413 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -6.88 -5.27 -5.29 36.51% CHEMBL191413 Inactive 60.29%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -6.95 -6.83 -6.87 29.79% CHEMBL3898146 Inactive 99.02%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.23 -5.25 -6.23 29.17% CHEMBL4440964 N/A N/A
DRD1_HUMAN dopamine receptor D1 -6.73 -6.40 -6.30 39.13% CHEMBL59 Inactive 64.75%
DRD2_HUMAN dopamine receptor D2 -6.89 N/A N/A 47.37% CHEMBL93101 N/A N/A
DRD3_HUMAN dopamine receptor D3 -7.03 N/A N/A 50.00% CHEMBL93234 N/A N/A
DRD4_HUMAN dopamine receptor D4 -6.46 -6.70 N/A 42.62% CHEMBL334989 N/A N/A
DRD5_HUMAN dopamine receptor D5 -6.98 -6.86 -6.66 39.13% CHEMBL59 Inactive 88.60%
EDNRA_HUMAN endothelin receptor type A -5.00 -5.19 -6.52 37.31% CHEMBL290026 Inactive 86.62%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -6.80 -7.15 -7.45 20.56% CHEMBL2391908 Inactive 92.53%
GASR_HUMAN cholecystokinin B receptor -6.03 -6.03 -4.99 27.06% CHEMBL38874 Inactive 92.14%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.18 -7.04 -7.16 35.21% CHEMBL254372 Inactive 70.02%
GRM2_HUMAN glutamate metabotropic receptor 2 -7.49 -8.16 -7.85 43.33% CHEMBL124501 Active 66.39%
GRM3_HUMAN glutamate metabotropic receptor 3 -8.40 -8.44 -8.09 43.33% CHEMBL124501 Active 61.09%
GRM4_HUMAN glutamate metabotropic receptor 4 -5.82 -5.53 -5.72 20.83% CHEMBL4242079 Inactive 95.33%
GRM5_HUMAN glutamate metabotropic receptor 5 -7.02 -7.66 -7.58 45.90% CHEMBL1682794 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -7.34 -7.42 -7.27 14.88% CHEMBL566136 Inactive 97.75%
GRM7_HUMAN glutamate metabotropic receptor 7 -6.52 -6.54 -6.89 32.69% CHEMBL1387826 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -6.39 -6.64 -6.26 34.78% CHEMBL143210 Inactive 98.40%
HRH1_HUMAN histamine receptor H1 -7.33 N/A N/A 51.92% CHEMBL572034 N/A N/A
HRH2_HUMAN histamine receptor H2 -7.85 -6.77 -7.64 37.29% CHEMBL21731 Active 91.62%
HRH3_HUMAN histamine receptor H3 -6.37 -6.05 -6.26 46.94% CHEMBL272140 Active 94.73%
HRH4_HUMAN histamine receptor H4 -6.34 -5.85 -6.19 37.33% CHEMBL489493 Active 60.63%
MC3R_HUMAN melanocortin 3 receptor -7.12 -6.80 -6.83 26.00% CHEMBL272099 Inactive 77.60%
MC4R_HUMAN melanocortin 4 receptor -5.26 -5.20 -6.47 40.00% CHEMBL195998 Inactive 59.98%
MC5R_HUMAN melanocortin 5 receptor -5.71 -6.71 -5.32 23.53% CHEMBL1093304 Inactive 78.84%
MSHR_HUMAN melanocortin 1 receptor -6.81 -6.07 -6.25 25.77% CHEMBL1091631 Inactive 77.53%
NK1R_HUMAN tachykinin receptor 1 -6.43 -6.66 -6.18 45.61% CHEMBL305274 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -6.64 -6.61 -6.55 47.37% CHEMBL17157 Inactive 95.30%
NPBW1_HUMAN neuropeptides B and W receptor 1 -5.71 -5.72 -5.83 19.01% CHEMBL2001338 Inactive 93.55%
NPFF1_HUMAN neuropeptide FF receptor 1 -6.25 -5.70 -6.05 28.17% CHEMBL575058 Inactive 67.19%
NPSR1_HUMAN neuropeptide S receptor 1 -6.11 -7.18 -6.23 25.27% CHEMBL3086828 Inactive 86.11%
NPY1R_HUMAN neuropeptide Y receptor Y1 -6.90 -6.46 -5.90 36.21% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -6.19 -5.68 -5.89 36.21% CHEMBL3559801 Active 54.28%
NPY4R_HUMAN neuropeptide Y receptor Y4 -6.17 -6.04 -5.69 36.21% CHEMBL3559801 Active 95.05%
NPY5R_HUMAN neuropeptide Y receptor Y5 -5.84 -5.69 -5.95 36.21% CHEMBL3559801 Inactive 84.14%
OPRD_HUMAN opioid receptor delta 1 -6.11 -5.44 -5.84 45.61% CHEMBL138036 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -6.89 -6.58 -6.94 45.61% CHEMBL138036 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -6.57 -5.42 -5.78 45.61% CHEMBL138036 Inactive 80.34%
OPRX_HUMAN opioid related nociceptin receptor 1 -5.81 -5.86 -5.85 44.64% CHEMBL3937167 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -7.33 -7.39 -7.45 33.77% CHEMBL297624 Inactive 59.92%
TAAR1_HUMAN trace amine associated receptor 1 -6.98 -6.23 -6.50 61.76% CHEMBL612 Active 88.97%
TSHR_HUMAN thyroid stimulating hormone receptor -6.98 -7.08 -6.68 25.74% CHEMBL3891546 Inactive 93.25%
V1AR_HUMAN arginine vasopressin receptor 1A -6.67 -5.68 -6.91 29.07% CHEMBL1807264 Inactive 93.53%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -6.82 -6.09 -6.61 17.20% CHEMBL483749 N/A N/A