test #45 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 -6.12 -5.75 -5.82 48.21% CHEMBL146942 Active 53.72%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -6.57 -6.29 -6.07 48.21% CHEMBL146942 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -6.25 -6.41 -6.18 43.75% CHEMBL73281 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -6.30 -6.41 -6.59 24.00% CHEMBL39 Inactive 60.65%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -6.39 -6.81 -6.58 24.49% CHEMBL3617549 Inactive 76.99%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -6.71 -6.43 N/A 70.00% CHEMBL445747 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.90 -6.87 -6.95 70.00% CHEMBL445747 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -6.96 -6.84 N/A 70.00% CHEMBL445747 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -6.60 -6.82 -6.41 27.27% CHEMBL80015 Inactive 60.61%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -6.67 -6.36 -6.39 34.09% CHEMBL161507 Inactive 52.75%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -6.17 -6.00 -6.05 48.21% CHEMBL146942 Inactive 56.56%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -6.37 -6.67 -6.54 53.06% CHEMBL443757 Active 90.84%
AA1R_HUMAN adenosine A1 receptor -6.48 -6.74 -6.85 29.07% CHEMBL1544 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -7.02 -6.85 -6.54 26.87% CHEMBL86771 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -6.01 -6.21 -5.60 21.21% CHEMBL67949 Inactive 63.00%
AA3R_HUMAN adenosine A3 receptor -7.54 -7.43 -6.07 42.11% CHEMBL701 Active 66.38%
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.88 -7.56 N/A 49.15% CHEMBL3084679 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -6.21 -5.97 -6.88 49.15% CHEMBL3084679 Active 70.92%
ACM3_HUMAN cholinergic receptor muscarinic 3 -5.72 -6.50 -6.98 50.88% CHEMBL3084397 Active 51.52%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.04 -6.78 N/A 47.54% CHEMBL1490 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -6.52 -6.37 -6.73 47.54% CHEMBL1490 Inactive 57.33%
ACTHR_HUMAN melanocortin 2 receptor -8.31 -8.17 -7.24 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -6.13 -6.32 -5.89 45.61% CHEMBL21731 Active 79.31%
ADA2A_HUMAN adrenoceptor alpha 2A -7.04 -6.98 -6.47 58.54% CHEMBL61006 Active 87.69%
ADA2B_HUMAN adrenoceptor alpha 2B -7.34 -7.20 -7.25 45.61% CHEMBL21731 Active 64.55%
ADA2C_HUMAN adrenoceptor alpha 2C -6.26 -6.25 -5.93 45.76% CHEMBL17157 Active 73.22%
ADRB1_HUMAN adrenoceptor beta 1 -6.27 -6.51 -6.37 36.23% CHEMBL566777 Inactive 56.85%
ADRB2_HUMAN adrenoceptor beta 2 -6.50 -7.17 -6.74 40.62% CHEMBL1800960 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -7.11 -7.34 -7.00 36.00% CHEMBL12994 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -6.79 -6.64 -6.46 24.75% CHEMBL128416 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -6.75 -7.08 -6.95 27.54% CHEMBL121565 Inactive 84.86%
CALCR_HUMAN calcitonin receptor -5.96 -5.73 -5.65 18.75% CHEMBL2369895 Inactive 61.21%
CCKAR_HUMAN cholecystokinin A receptor -6.64 -6.46 -7.22 20.49% CHEMBL105619 Inactive 92.66%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.24 -7.48 -5.81 40.30% CHEMBL140270 Inactive 98.77%
CCR2_HUMAN C-C motif chemokine receptor 2 -6.12 -6.08 -5.67 41.67% CHEMBL3753178 Inactive 98.28%
CCR4_HUMAN C-C motif chemokine receptor 4 -5.71 -5.96 -6.59 22.40% CHEMBL208249 Inactive 90.56%
CCR5_HUMAN C-C motif chemokine receptor 5 -6.37 -6.67 -6.23 45.76% CHEMBL17157 Inactive 96.21%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.47 -7.97 -7.44 32.95% CHEMBL22776 Inactive 92.84%
CNR1_HUMAN cannabinoid receptor 1 -6.34 -6.54 -7.23 57.69% CHEMBL233182 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -7.13 -7.24 N/A 76.32% CHEMBL264412 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.61 N/A N/A 31.34% CHEMBL191413 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -7.06 -5.22 -5.12 31.34% CHEMBL191413 Inactive 64.62%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -6.85 -6.94 -6.88 31.65% CHEMBL495752 Inactive 98.90%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.24 -5.25 -6.06 25.40% CHEMBL2170299 N/A N/A
DRD1_HUMAN dopamine receptor D1 -6.60 -6.57 -6.21 45.61% CHEMBL21731 Active 51.17%
DRD2_HUMAN dopamine receptor D2 -6.27 N/A N/A 48.39% CHEMBL130665 N/A N/A
DRD3_HUMAN dopamine receptor D3 -6.82 N/A N/A 53.85% CHEMBL93234 N/A N/A
DRD4_HUMAN dopamine receptor D4 -6.41 -6.26 N/A 42.42% CHEMBL1258270 N/A N/A
DRD5_HUMAN dopamine receptor D5 -6.69 -6.87 -6.91 45.61% CHEMBL21731 Inactive 76.86%
EDNRA_HUMAN endothelin receptor type A -5.13 -6.03 -5.49 40.30% CHEMBL290026 Inactive 91.18%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -6.95 -7.06 -7.52 21.30% CHEMBL2391908 Inactive 92.62%
GASR_HUMAN cholecystokinin B receptor -6.11 -6.44 -5.31 26.44% CHEMBL38874 Inactive 92.40%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.01 -7.02 -6.84 42.03% CHEMBL254372 Inactive 63.03%
GRM2_HUMAN glutamate metabotropic receptor 2 -7.52 -7.82 -7.56 51.79% CHEMBL2112585 Active 75.03%
GRM3_HUMAN glutamate metabotropic receptor 3 -8.05 -8.31 -7.95 51.79% CHEMBL2112584 Active 77.48%
GRM4_HUMAN glutamate metabotropic receptor 4 -6.46 -6.59 -6.58 18.05% CHEMBL3797923 Inactive 94.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -7.09 -8.14 -8.05 46.15% CHEMBL1682795 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -7.54 -7.74 -7.58 14.81% CHEMBL280563 Inactive 98.44%
GRM7_HUMAN glutamate metabotropic receptor 7 -6.73 -6.74 -7.02 32.95% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -6.46 -6.99 -6.72 32.95% CHEMBL432038 Inactive 98.49%
HRH1_HUMAN histamine receptor H1 -7.68 N/A N/A 53.33% CHEMBL594138 N/A N/A
HRH2_HUMAN histamine receptor H2 -8.15 -6.78 -7.05 45.61% CHEMBL21731 Active 84.49%
HRH3_HUMAN histamine receptor H3 -6.64 -5.64 -5.79 54.72% CHEMBL1270058 Active 97.32%
HRH4_HUMAN histamine receptor H4 -6.11 -5.97 -6.12 40.62% CHEMBL1934066 Active 61.21%
MC3R_HUMAN melanocortin 3 receptor -7.24 -7.02 -6.03 25.49% CHEMBL272099 Inactive 77.79%
MC4R_HUMAN melanocortin 4 receptor -5.44 -5.51 -5.97 49.06% CHEMBL194464 Active 55.19%
MC5R_HUMAN melanocortin 5 receptor -5.61 -6.78 -5.61 26.26% CHEMBL3958082 Inactive 67.06%
MSHR_HUMAN melanocortin 1 receptor -6.97 -6.34 -6.89 25.25% CHEMBL1091631 Inactive 65.25%
NK1R_HUMAN tachykinin receptor 1 -6.32 -6.59 -5.88 52.63% CHEMBL143813 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -6.31 -6.18 -6.32 45.76% CHEMBL17157 Inactive 98.46%
NPBW1_HUMAN neuropeptides B and W receptor 1 -5.76 -5.77 -5.54 19.08% CHEMBL1940539 Inactive 93.40%
NPFF1_HUMAN neuropeptide FF receptor 1 -6.00 -5.71 -5.52 30.23% CHEMBL3361424 Inactive 61.91%
NPSR1_HUMAN neuropeptide S receptor 1 -6.08 -7.32 -5.99 26.09% CHEMBL3086828 Inactive 85.25%
NPY1R_HUMAN neuropeptide Y receptor Y1 -6.87 -6.67 -6.34 39.66% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -6.11 -5.72 -5.61 39.66% CHEMBL3559801 Active 60.54%
NPY4R_HUMAN neuropeptide Y receptor Y4 -6.18 -5.88 -5.41 39.66% CHEMBL3559801 Active 96.09%
NPY5R_HUMAN neuropeptide Y receptor Y5 -5.65 -5.69 -5.72 39.66% CHEMBL3559801 Inactive 76.55%
OPRD_HUMAN opioid receptor delta 1 -6.13 -5.70 -6.19 47.37% CHEMBL202327 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -6.92 -6.83 -6.24 47.46% CHEMBL2260849 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -6.55 -5.86 -6.02 53.70% CHEMBL3937167 Inactive 74.62%
OPRX_HUMAN opioid related nociceptin receptor 1 -5.90 -5.85 -6.07 53.70% CHEMBL3937167 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -7.26 -7.43 -7.43 38.16% CHEMBL297624 Active 51.20%
TAAR1_HUMAN trace amine associated receptor 1 -6.92 -6.31 -6.57 58.33% CHEMBL19393 Active 78.08%
TSHR_HUMAN thyroid stimulating hormone receptor -6.65 -6.86 -6.60 27.72% CHEMBL3891546 Inactive 92.76%
V1AR_HUMAN arginine vasopressin receptor 1A -5.78 -5.71 -6.51 29.03% CHEMBL1807275 Inactive 96.57%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -6.90 -5.72 -6.86 18.47% CHEMBL483749 N/A N/A