ACTE #54 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 -5.06 -4.80 -4.98 11.32% CHEMBL146942 Inactive 96.41%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -5.22 -5.45 -5.82 11.32% CHEMBL146942 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -5.37 -4.96 -4.83 8.70% CHEMBL414420 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -5.67 -4.71 -4.50 4.65% CHEMBL22744 Active 50.22%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -5.04 -5.17 -5.28 4.80% CHEMBL101686 Inactive 86.29%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -5.25 -5.17 N/A 20.69% CHEMBL334255 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -5.60 -5.34 -5.64 15.00% CHEMBL547 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -5.44 -5.37 N/A 20.69% CHEMBL334255 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -5.41 -5.45 -5.53 6.25% CHEMBL80015 Inactive 92.02%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -5.33 -5.28 -5.30 7.14% CHEMBL191460 Inactive 69.15%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -5.24 -5.07 -5.27 17.86% CHEMBL98511 Inactive 92.41%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -5.01 -4.85 -5.07 11.32% CHEMBL146942 Inactive 75.85%
AA1R_HUMAN adenosine A1 receptor -5.58 -5.06 -5.57 16.67% CHEMBL3314905 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -5.42 -5.32 -5.53 16.67% CHEMBL3314905 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -4.68 -5.26 -4.70 5.66% CHEMBL3093327 Inactive 88.05%
AA3R_HUMAN adenosine A3 receptor -5.76 -5.25 -5.21 16.67% CHEMBL3314905 Inactive 51.35%
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.10 -6.41 N/A 26.09% CHEMBL75880 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -5.40 -5.00 -6.01 25.00% CHEMBL2030626 Active 63.23%
ACM3_HUMAN cholinergic receptor muscarinic 3 -4.85 -5.45 -6.00 26.09% CHEMBL75880 Inactive 77.22%
ACM4_HUMAN cholinergic receptor muscarinic 4 -6.16 -5.57 N/A 26.09% CHEMBL75880 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -5.53 -5.41 -5.55 26.09% CHEMBL75880 Inactive 84.53%
ACTHR_HUMAN melanocortin 2 receptor -5.87 -5.33 -5.02 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -4.48 -4.66 -4.72 11.32% CHEMBL533979 Inactive 74.33%
ADA2A_HUMAN adrenoceptor alpha 2A -5.87 -6.00 -6.06 20.69% CHEMBL334255 Active 62.53%
ADA2B_HUMAN adrenoceptor alpha 2B -6.20 -5.97 -6.12 20.69% CHEMBL334255 Active 50.77%
ADA2C_HUMAN adrenoceptor alpha 2C -6.04 -6.00 -6.10 26.09% CHEMBL2030634 Active 61.44%
ADRB1_HUMAN adrenoceptor beta 1 -5.22 -5.45 -5.31 7.14% CHEMBL236514 Inactive 79.42%
ADRB2_HUMAN adrenoceptor beta 2 -5.81 -6.01 -5.83 8.96% CHEMBL1332942 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -5.49 -5.88 -5.42 6.32% CHEMBL101591 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -5.59 -5.86 -5.53 4.17% CHEMBL376286 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -5.25 -5.53 -5.33 9.52% CHEMBL109172 Inactive 95.65%
CALCR_HUMAN calcitonin receptor -4.80 -4.66 -5.19 3.52% CHEMBL2369895 Active 89.23%
CCKAR_HUMAN cholecystokinin A receptor -4.78 -5.36 -5.04 5.41% CHEMBL258486 Inactive 95.24%
CCR1_HUMAN C-C motif chemokine receptor 1 -5.70 -6.38 -4.46 9.68% CHEMBL33761 Inactive 98.55%
CCR2_HUMAN C-C motif chemokine receptor 2 -4.61 -4.52 -5.06 8.45% CHEMBL523857 Inactive 92.34%
CCR4_HUMAN C-C motif chemokine receptor 4 -4.59 -4.66 -4.89 6.45% CHEMBL459465 Inactive 86.23%
CCR5_HUMAN C-C motif chemokine receptor 5 -5.10 -5.65 -5.19 10.17% CHEMBL321267 Inactive 99.75%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -5.07 -6.34 -5.24 6.90% CHEMBL22776 Inactive 98.58%
CNR1_HUMAN cannabinoid receptor 1 -5.19 -5.43 -5.77 13.64% CHEMBL483143 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -5.87 -5.87 N/A 28.57% CHEMBL3360190 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -5.63 N/A N/A 4.92% CHEMBL191413 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -5.30 -4.49 -4.09 5.13% CHEMBL4103634 Inactive 99.99%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -5.20 -5.11 -5.13 12.00% CHEMBL2205723 Inactive 99.32%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -5.38 -3.98 -4.66 10.00% CHEMBL2170299 N/A N/A
DRD1_HUMAN dopamine receptor D1 -5.55 -4.69 -4.87 11.32% CHEMBL21731 Inactive 78.18%
DRD2_HUMAN dopamine receptor D2 -5.63 N/A N/A 11.54% CHEMBL162762 N/A N/A
DRD3_HUMAN dopamine receptor D3 -5.30 N/A N/A 13.04% CHEMBL1123 N/A N/A
DRD4_HUMAN dopamine receptor D4 -5.45 -5.59 N/A 11.54% CHEMBL162762 N/A N/A
DRD5_HUMAN dopamine receptor D5 -5.13 -5.40 -5.53 11.32% CHEMBL21731 Inactive 84.81%
EDNRA_HUMAN endothelin receptor type A -5.42 -5.36 -4.36 6.85% CHEMBL286808 Inactive 96.12%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -5.45 -5.62 -6.38 5.94% CHEMBL2391908 Inactive 91.34%
GASR_HUMAN cholecystokinin B receptor -4.97 -4.82 -4.42 6.59% CHEMBL537171 Inactive 96.81%
GRM1_HUMAN glutamate metabotropic receptor 1 -6.25 -6.04 -5.79 11.32% CHEMBL1270719 Inactive 94.97%
GRM2_HUMAN glutamate metabotropic receptor 2 -6.84 -6.73 -6.91 18.75% CHEMBL482081 Inactive 80.54%
GRM3_HUMAN glutamate metabotropic receptor 3 -6.86 -6.67 -6.66 17.14% CHEMBL2112586 Inactive 65.37%
GRM4_HUMAN glutamate metabotropic receptor 4 -4.71 -4.27 -3.91 8.96% CHEMBL578358 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -5.83 -6.45 -6.39 17.65% CHEMBL1783985 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -6.01 -5.99 -5.93 15.15% CHEMBL280563 Inactive 93.35%
GRM7_HUMAN glutamate metabotropic receptor 7 -5.50 -5.13 -5.56 6.90% CHEMBL432038 Inactive 99.97%
GRM8_HUMAN glutamate metabotropic receptor 8 -5.00 -4.90 -4.20 15.15% CHEMBL280563 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -5.96 N/A N/A 11.32% CHEMBL21731 N/A N/A
HRH2_HUMAN histamine receptor H2 -5.76 -4.90 -5.62 11.32% CHEMBL21731 Active 86.11%
HRH3_HUMAN histamine receptor H3 -4.91 -4.64 -4.71 35.29% CHEMBL1190 Active 81.30%
HRH4_HUMAN histamine receptor H4 -5.19 -4.79 -5.04 13.04% CHEMBL1824228 Inactive 50.12%
MC3R_HUMAN melanocortin 3 receptor -5.69 -4.93 -4.77 8.70% CHEMBL407135 Inactive 73.84%
MC4R_HUMAN melanocortin 4 receptor -4.27 -3.81 -4.64 12.24% CHEMBL1499792 Inactive 99.99%
MC5R_HUMAN melanocortin 5 receptor -4.31 -5.55 -4.31 8.70% CHEMBL407135 Inactive 54.37%
MSHR_HUMAN melanocortin 1 receptor -5.15 -4.80 -5.26 6.25% CHEMBL1761872 Inactive 84.11%
NK1R_HUMAN tachykinin receptor 1 -4.99 -5.15 -4.97 10.53% CHEMBL143813 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -5.09 -5.05 -5.07 6.90% CHEMBL17157 Inactive 99.75%
NPBW1_HUMAN neuropeptides B and W receptor 1 -4.94 -4.31 -4.61 4.05% CHEMBL1940538 Inactive 86.10%
NPFF1_HUMAN neuropeptide FF receptor 1 -4.92 -4.95 -4.70 6.90% CHEMBL3360829 Inactive 59.89%
NPSR1_HUMAN neuropeptide S receptor 1 -5.20 -5.56 -5.63 5.71% CHEMBL1210242 Inactive 89.82%
NPY1R_HUMAN neuropeptide Y receptor Y1 -5.47 -5.70 -4.44 9.62% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -5.64 -4.56 -4.72 9.62% CHEMBL3559801 Inactive 81.47%
NPY4R_HUMAN neuropeptide Y receptor Y4 -4.72 -5.06 -4.55 9.62% CHEMBL3559801 Active 87.81%
NPY5R_HUMAN neuropeptide Y receptor Y5 -4.98 -5.39 -5.02 9.62% CHEMBL3559801 Inactive 94.88%
OPRD_HUMAN opioid receptor delta 1 -5.45 -4.22 -4.24 11.76% CHEMBL330291 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -5.71 -5.40 -5.62 24.00% CHEMBL2432039 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -5.55 -4.41 -4.85 50.00% CHEMBL123693 Inactive 67.42%
OPRX_HUMAN opioid related nociceptin receptor 1 -4.81 -4.81 -4.75 12.50% CHEMBL53256 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -5.23 -5.98 -6.41 8.11% CHEMBL514432 Inactive 90.73%
TAAR1_HUMAN trace amine associated receptor 1 -5.42 -5.42 -5.19 12.00% CHEMBL1734759 Active 88.18%
TSHR_HUMAN thyroid stimulating hormone receptor -5.81 -5.38 -5.72 5.22% CHEMBL3945037 Inactive 92.49%
V1AR_HUMAN arginine vasopressin receptor 1A -5.13 -5.01 -5.26 8.70% CHEMBL1083095 Inactive 95.97%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -5.40 -5.28 -5.24 3.85% CHEMBL483749 N/A N/A