C64 #40 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 -8.50 -8.26 -10.08 70.94% CHEMBL1221452 Active 93.27%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.95 -9.41 -9.81 53.85% CHEMBL292759 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -9.84 -9.08 -8.14 53.85% CHEMBL292759 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -9.63 -9.12 -8.83 39.15% CHEMBL29410 Inactive 50.02%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -9.40 -9.63 -9.79 53.85% CHEMBL292759 Active 84.85%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.27 -9.50 N/A 70.94% CHEMBL1221452 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.69 -9.37 -9.02 53.85% CHEMBL292759 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -9.21 -10.07 N/A 70.94% CHEMBL1221452 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -9.17 -8.96 -8.44 42.01% CHEMBL90559 Inactive 55.71%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.60 -7.59 -8.18 38.51% CHEMBL538029 Inactive 70.41%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.57 -9.18 -10.05 70.94% CHEMBL1221452 Active 95.15%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -9.43 -9.75 -9.67 56.59% CHEMBL523519 Active 88.55%
AA1R_HUMAN adenosine A1 receptor -9.04 -8.95 -8.78 36.36% CHEMBL1170137 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -8.56 -8.57 -8.91 37.70% CHEMBL482648 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -8.91 -8.93 -8.90 38.02% CHEMBL520899 Active 62.12%
AA3R_HUMAN adenosine A3 receptor -6.39 -6.03 -8.98 42.49% CHEMBL603 Active 58.00%
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.90 -0.89 N/A 50.41% CHEMBL1455766 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.75 -8.30 -8.46 50.41% CHEMBL1713967 Active 58.42%
ACM3_HUMAN cholinergic receptor muscarinic 3 -9.95 -10.42 -9.52 53.57% CHEMBL494778 Active 83.29%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.72 -8.74 N/A 50.41% CHEMBL1455766 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -10.41 -10.35 -10.20 50.00% CHEMBL3329736 Active 89.01%
ACTHR_HUMAN melanocortin 2 receptor -9.50 -9.88 -8.40 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.51 -8.64 -8.49 46.58% CHEMBL236830 Active 50.24%
ADA2A_HUMAN adrenoceptor alpha 2A -2.17 0.58 2.27 52.46% CHEMBL1221499 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -9.78 -8.23 -8.97 31.41% CHEMBL346389 Active 66.19%
ADA2C_HUMAN adrenoceptor alpha 2C 0.55 2.58 2.34 50.41% CHEMBL1455766 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -8.98 -8.83 -9.25 56.55% CHEMBL417250 Active 83.54%
ADRB2_HUMAN adrenoceptor beta 2 -8.61 -7.92 -9.45 60.00% CHEMBL1375364 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.52 -9.10 -9.49 56.55% CHEMBL417250 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -9.29 -9.24 -9.13 37.21% CHEMBL216515 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -9.32 -10.37 -10.94 38.27% CHEMBL208738 Inactive 56.03%
CALCR_HUMAN calcitonin receptor -8.37 -7.65 -8.47 17.17% CHEMBL2369897 Inactive 98.14%
CCKAR_HUMAN cholecystokinin A receptor -8.31 -8.38 -8.72 37.10% CHEMBL217595 Inactive 87.79%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.45 -7.37 -8.35 45.77% CHEMBL1171758 Inactive 67.18%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.78 -9.29 -8.10 45.77% CHEMBL1171758 Active 54.03%
CCR4_HUMAN C-C motif chemokine receptor 4 -8.12 -7.89 -8.37 42.48% CHEMBL1171786 Inactive 65.07%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.68 -8.52 -8.63 42.48% CHEMBL1171786 Inactive 85.07%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.79 -8.90 -10.03 44.25% CHEMBL1214096 Active 65.33%
CNR1_HUMAN cannabinoid receptor 1 -9.22 -10.55 -10.79 100.00% CHEMBL2336543 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -10.39 -10.31 N/A 100.00% CHEMBL2326297 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -3.13 N/A N/A 37.34% CHEMBL376540 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.90 -7.29 -7.56 37.34% CHEMBL376540 Inactive 56.06%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.84 -9.00 -9.12 68.47% CHEMBL1085258 Active 76.64%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.15 -7.61 -7.41 43.93% CHEMBL4100900 N/A N/A
DRD1_HUMAN dopamine receptor D1 -9.57 -8.74 -8.82 45.21% CHEMBL599487 Active 64.03%
DRD2_HUMAN dopamine receptor D2 -8.38 N/A N/A 53.23% CHEMBL231326 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.53 N/A N/A 70.94% CHEMBL1221452 N/A N/A
DRD4_HUMAN dopamine receptor D4 -9.62 -9.82 N/A 46.38% CHEMBL194755 N/A N/A
DRD5_HUMAN dopamine receptor D5 -8.72 -10.00 -8.90 47.71% CHEMBL394110 Active 80.58%
EDNRA_HUMAN endothelin receptor type A -7.75 -7.62 -7.60 42.86% CHEMBL266277 Active 63.00%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 4.03 -2.55 21.68 16.96% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.12 -9.13 -7.23 43.93% CHEMBL215416 Inactive 67.42%
GRM1_HUMAN glutamate metabotropic receptor 1 -8.98 -9.70 -7.70 33.73% CHEMBL3759211 Inactive 60.03%
GRM2_HUMAN glutamate metabotropic receptor 2 -0.68 0.34 -0.76 51.45% CHEMBL421406 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -0.93 -3.81 -4.57 25.47% CHEMBL3747073 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 2.51 3.32 1.93 55.47% CHEMBL1921853 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -5.87 -7.97 -7.72 39.86% CHEMBL4068775 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -2.90 -6.19 -3.31 22.50% CHEMBL1585091 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 0.46 1.96 -0.97 28.95% CHEMBL3560146 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -0.69 2.90 0.78 28.95% CHEMBL3560146 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -6.56 N/A N/A 50.41% CHEMBL1455766 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.67 -9.11 -8.99 36.75% CHEMBL321709 Active 98.59%
HRH3_HUMAN histamine receptor H3 -7.89 -8.91 -8.51 48.23% CHEMBL2021983 Active 67.81%
HRH4_HUMAN histamine receptor H4 -8.57 -8.93 -8.70 33.82% CHEMBL511 Inactive 64.56%
MC3R_HUMAN melanocortin 3 receptor -8.63 -8.17 -8.21 28.33% CHEMBL467586 Inactive 73.15%
MC4R_HUMAN melanocortin 4 receptor -8.25 -7.49 -7.64 40.10% CHEMBL1537104 Inactive 88.69%
MC5R_HUMAN melanocortin 5 receptor -7.21 -9.76 -4.22 35.64% CHEMBL2113139 Inactive 99.99%
MSHR_HUMAN melanocortin 1 receptor -9.96 -8.64 -8.47 34.38% CHEMBL429212 Inactive 77.27%
NK1R_HUMAN tachykinin receptor 1 -8.76 -8.72 -8.51 39.87% CHEMBL329007 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.79 -8.20 -8.52 32.43% CHEMBL280789 Inactive 95.34%
NPBW1_HUMAN neuropeptides B and W receptor 1 -8.35 -8.21 -8.41 26.37% CHEMBL1940354 Inactive 90.58%
NPFF1_HUMAN neuropeptide FF receptor 1 -8.01 -7.69 -8.07 30.00% CHEMBL3361420 Inactive 79.67%
NPSR1_HUMAN neuropeptide S receptor 1 -9.46 -9.66 -8.68 25.64% CHEMBL1289780 Inactive 61.32%
NPY1R_HUMAN neuropeptide Y receptor Y1 -9.68 -8.80 -9.14 33.33% CHEMBL2046862 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.80 -8.45 -8.08 47.33% CHEMBL1427860 Inactive 90.10%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.64 -8.39 -8.13 21.95% CHEMBL3559801 Inactive 74.29%
NPY5R_HUMAN neuropeptide Y receptor Y5 -7.88 -7.42 -7.57 49.28% CHEMBL16965 Inactive 62.81%
OPRD_HUMAN opioid receptor delta 1 -7.66 -6.86 -7.65 44.12% CHEMBL401594 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.58 -8.66 -8.64 63.33% CHEMBL1713635 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.96 -7.64 -7.91 54.48% CHEMBL1712885 Active 51.45%
OPRX_HUMAN opioid related nociceptin receptor 1 -8.51 -7.33 -7.70 39.71% CHEMBL3942616 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.21 -8.94 -8.51 35.44% CHEMBL418608 Inactive 53.88%
TAAR1_HUMAN trace amine associated receptor 1 -9.27 -9.82 -9.43 48.18% CHEMBL1558546 Inactive 63.64%
TSHR_HUMAN thyroid stimulating hormone receptor -9.94 -9.77 -9.67 31.11% CHEMBL1719708 Inactive 95.04%
V1AR_HUMAN arginine vasopressin receptor 1A -8.48 -8.52 -8.71 52.74% CHEMBL200682 Active 55.86%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -8.73 -9.19 -8.79 23.04% CHEMBL1784685 N/A N/A