test #50 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 -7.87 -7.70 -8.39 38.18% CHEMBL2164330 Inactive 62.00%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -9.18 -8.61 -9.16 28.30% CHEMBL2112766 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.71 -8.46 -7.80 28.12% CHEMBL139438 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -8.08 -8.44 -8.41 16.44% CHEMBL39 Inactive 68.77%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -9.15 -9.16 -8.18 16.44% CHEMBL39 Inactive 74.86%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.86 -9.72 N/A 39.62% CHEMBL46788 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.29 -8.81 -9.20 31.58% CHEMBL471839 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -9.23 -10.34 N/A 36.21% CHEMBL474860 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -10.40 -10.13 -9.94 16.44% CHEMBL39 Inactive 90.28%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.31 -7.06 -7.89 27.69% CHEMBL189262 Inactive 67.73%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.06 -8.14 -9.19 32.14% CHEMBL556759 Inactive 55.99%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.49 -9.24 -8.35 51.22% CHEMBL234885 Active 70.86%
AA1R_HUMAN adenosine A1 receptor -9.48 -9.05 -9.97 28.95% CHEMBL3977929 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -10.34 -10.15 -10.46 28.95% CHEMBL3977929 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -7.74 -8.84 -7.97 20.00% CHEMBL376778 Inactive 84.47%
AA3R_HUMAN adenosine A3 receptor -9.91 -9.71 -9.42 27.27% CHEMBL2312728 Active 51.38%
ACM1_HUMAN cholinergic receptor muscarinic 1 -10.15 -4.04 N/A 26.92% CHEMBL1084850 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -9.35 -8.30 -10.41 25.00% CHEMBL273586 Inactive 62.82%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.25 -9.30 -10.05 28.95% CHEMBL1084851 Active 59.04%
ACM4_HUMAN cholinergic receptor muscarinic 4 -10.20 -9.95 N/A 24.19% CHEMBL2377384 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -9.76 -9.90 -9.98 24.07% CHEMBL657 Active 55.82%
ACTHR_HUMAN melanocortin 2 receptor -10.24 -9.10 -9.11 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.66 -8.57 -8.64 23.08% CHEMBL648 Inactive 72.30%
ADA2A_HUMAN adrenoceptor alpha 2A -5.94 -7.30 -3.71 26.67% CHEMBL61006 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -10.38 -10.24 -8.40 24.00% CHEMBL972 Inactive 65.79%
ADA2C_HUMAN adrenoceptor alpha 2C -2.56 -1.32 -1.65 22.22% CHEMBL1437 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.53 -9.32 -9.86 28.57% CHEMBL1621144 Active 55.19%
ADRB2_HUMAN adrenoceptor beta 2 -8.51 -8.70 -9.52 31.58% CHEMBL4062049 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.93 -10.80 -9.68 27.63% CHEMBL273028 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -9.71 -9.62 -9.68 16.81% CHEMBL290286 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -9.07 -10.20 -9.97 17.65% CHEMBL121565 Inactive 80.29%
CALCR_HUMAN calcitonin receptor -7.84 -7.88 -7.99 7.95% CHEMBL2369895 Inactive 98.86%
CCKAR_HUMAN cholecystokinin A receptor -8.70 -8.72 -8.84 16.67% CHEMBL1774034 Inactive 90.69%
CCR1_HUMAN C-C motif chemokine receptor 1 -9.24 -6.98 -8.31 20.27% CHEMBL2205805 Inactive 86.64%
CCR2_HUMAN C-C motif chemokine receptor 2 -8.87 -7.92 -7.62 22.62% CHEMBL3754334 Inactive 80.47%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.53 -8.07 -7.57 15.00% CHEMBL1618631 Inactive 81.74%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.47 -8.83 -8.57 22.62% CHEMBL106264 Inactive 96.68%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.56 -8.51 -9.17 14.29% CHEMBL33329 Inactive 92.06%
CNR1_HUMAN cannabinoid receptor 1 -9.36 -9.22 -10.60 39.62% CHEMBL233182 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -9.46 -10.16 N/A 39.62% CHEMBL233182 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -8.43 N/A N/A 17.65% CHEMBL191413 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.77 -6.75 -6.87 17.65% CHEMBL191413 Inactive 78.10%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.95 -8.93 -8.86 27.63% CHEMBL2181464 Inactive 91.52%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.61 -6.55 -7.79 22.22% CHEMBL18442 N/A N/A
DRD1_HUMAN dopamine receptor D1 -9.01 -8.95 -8.75 26.58% CHEMBL3325914 Inactive 57.58%
DRD2_HUMAN dopamine receptor D2 -8.63 N/A N/A 26.09% CHEMBL59 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.85 N/A N/A 28.57% CHEMBL484204 N/A N/A
DRD4_HUMAN dopamine receptor D4 -8.14 -8.25 N/A 27.63% CHEMBL184551 N/A N/A
DRD5_HUMAN dopamine receptor D5 -10.04 -9.44 -8.09 24.07% CHEMBL201525 Inactive 51.62%
EDNRA_HUMAN endothelin receptor type A -7.23 -7.52 -7.41 20.88% CHEMBL31662 Inactive 76.00%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -6.34 -7.25 -5.92 10.81% CHEMBL2391908 Inactive 89.37%
GASR_HUMAN cholecystokinin B receptor -8.34 -7.73 -6.73 13.33% CHEMBL38874 Inactive 90.72%
GRM1_HUMAN glutamate metabotropic receptor 1 -8.08 -9.45 -8.77 19.57% CHEMBL1269125 Inactive 73.90%
GRM2_HUMAN glutamate metabotropic receptor 2 -5.05 -6.79 -4.71 23.86% CHEMBL3974279 Inactive 61.27%
GRM3_HUMAN glutamate metabotropic receptor 3 -7.13 -8.99 -9.02 20.31% CHEMBL2112584 Inactive 85.73%
GRM4_HUMAN glutamate metabotropic receptor 4 -6.13 -6.39 -6.42 18.10% CHEMBL2023452 Inactive 97.00%
GRM5_HUMAN glutamate metabotropic receptor 5 -7.17 -11.70 -11.29 24.00% CHEMBL371811 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -8.33 -8.17 -7.46 18.75% CHEMBL566136 Inactive 97.34%
GRM7_HUMAN glutamate metabotropic receptor 7 -6.31 -5.78 -4.81 13.54% CHEMBL432038 Inactive 99.96%
GRM8_HUMAN glutamate metabotropic receptor 8 -3.24 -2.93 -5.36 17.57% CHEMBL143210 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -10.54 N/A N/A 28.89% CHEMBL47482 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.26 -8.16 -7.63 23.86% CHEMBL2207641 Active 79.88%
HRH3_HUMAN histamine receptor H3 -8.22 -8.38 -8.35 50.00% CHEMBL209478 Active 83.76%
HRH4_HUMAN histamine receptor H4 -8.10 -8.56 -7.76 33.96% CHEMBL1934049 Inactive 65.07%
MC3R_HUMAN melanocortin 3 receptor -8.61 -8.24 -9.23 13.95% CHEMBL460349 Inactive 73.48%
MC4R_HUMAN melanocortin 4 receptor -7.34 -7.25 -7.22 29.58% CHEMBL226023 Inactive 91.75%
MC5R_HUMAN melanocortin 5 receptor -6.97 -8.71 -7.31 18.56% CHEMBL3964883 Inactive 66.09%
MSHR_HUMAN melanocortin 1 receptor -8.80 -9.26 -8.60 15.38% CHEMBL267020 Inactive 83.33%
NK1R_HUMAN tachykinin receptor 1 -9.24 -9.18 -8.86 37.50% CHEMBL206490 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -9.03 -9.10 -9.13 20.00% CHEMBL17157 Inactive 91.15%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.93 -7.77 -7.35 14.50% CHEMBL1991452 Inactive 96.16%
NPFF1_HUMAN neuropeptide FF receptor 1 -8.32 -7.89 -8.22 22.58% CHEMBL573738 Inactive 76.51%
NPSR1_HUMAN neuropeptide S receptor 1 -8.91 -9.37 -8.09 17.82% CHEMBL1289780 Inactive 68.70%
NPY1R_HUMAN neuropeptide Y receptor Y1 -9.49 -9.43 -8.52 19.67% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -8.04 -8.04 -7.98 19.67% CHEMBL3559801 Inactive 99.06%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.06 -8.45 -8.45 19.67% CHEMBL3559801 Inactive 77.55%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.01 -7.95 -7.59 25.00% CHEMBL327027 Inactive 94.98%
OPRD_HUMAN opioid receptor delta 1 -8.34 -7.48 -7.58 22.11% CHEMBL3809491 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.09 -9.38 -8.36 24.49% CHEMBL1188090 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.92 -6.98 -8.01 24.49% CHEMBL1188090 Inactive 77.27%
OPRX_HUMAN opioid related nociceptin receptor 1 -8.36 -7.44 -7.37 23.33% CHEMBL139816 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.88 -8.46 -8.40 21.57% CHEMBL53584 Inactive 80.85%
TAAR1_HUMAN trace amine associated receptor 1 -9.91 -9.45 -9.20 37.14% CHEMBL451372 Inactive 69.97%
TSHR_HUMAN thyroid stimulating hormone receptor -9.71 -9.44 -9.23 12.26% CHEMBL3908443 Inactive 97.50%
V1AR_HUMAN arginine vasopressin receptor 1A -7.75 -7.88 -8.43 30.00% CHEMBL1083095 Inactive 92.31%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -8.26 -8.61 -8.71 16.18% CHEMBL1784685 N/A N/A