h #48 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 -4.14 -3.97 -4.17 18.18% CHEMBL277120 Inactive 99.99%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -4.51 -4.74 -4.57 21.43% CHEMBL337539 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -4.19 -4.02 -5.10 18.18% CHEMBL277120 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -4.56 -4.49 -4.46 9.52% CHEMBL39 Active 54.94%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -4.27 -4.27 -4.40 9.52% CHEMBL39 Inactive 84.38%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -4.77 -4.30 N/A 21.43% CHEMBL471839 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -4.40 -4.15 -4.41 26.09% CHEMBL1333512 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -4.27 -4.88 N/A 21.43% CHEMBL471839 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -4.71 -4.62 -4.74 10.17% CHEMBL371300 Inactive 92.61%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -4.29 -4.27 -4.23 18.18% CHEMBL277120 Inactive 99.99%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -4.36 -4.48 -4.42 18.18% CHEMBL277120 Inactive 94.56%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -4.03 -4.41 -4.11 18.18% CHEMBL277120 Inactive 99.99%
AA1R_HUMAN adenosine A1 receptor -4.24 -4.33 -4.59 11.54% CHEMBL198461 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -4.42 -4.37 -4.19 12.50% CHEMBL603095 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -4.04 -4.61 -3.99 10.34% CHEMBL1487093 Inactive 99.99%
AA3R_HUMAN adenosine A3 receptor -4.82 -4.63 -4.10 12.77% CHEMBL86754 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -4.84 -5.51 N/A 14.29% CHEMBL648 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -4.43 -4.03 -4.53 14.29% CHEMBL648 Inactive 99.99%
ACM3_HUMAN cholinergic receptor muscarinic 3 -4.03 -4.52 -4.97 14.29% CHEMBL648 Inactive 99.99%
ACM4_HUMAN cholinergic receptor muscarinic 4 -4.74 -4.60 N/A 14.29% CHEMBL648 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -4.28 -4.44 -4.45 14.29% CHEMBL648 Inactive 79.86%
ACTHR_HUMAN melanocortin 2 receptor -6.16 -5.68 -4.82 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -4.09 -4.45 -4.17 14.29% CHEMBL648 Inactive 99.99%
ADA2A_HUMAN adrenoceptor alpha 2A -4.65 -4.58 -4.58 17.14% CHEMBL3289522 Inactive 76.29%
ADA2B_HUMAN adrenoceptor alpha 2B -4.80 -4.59 -4.80 15.00% CHEMBL972 Active 62.57%
ADA2C_HUMAN adrenoceptor alpha 2C -4.94 -4.75 -4.68 16.67% CHEMBL1879790 Inactive 62.72%
ADRB1_HUMAN adrenoceptor beta 1 -4.25 -4.23 -4.32 13.64% CHEMBL2335160 Inactive 99.99%
ADRB2_HUMAN adrenoceptor beta 2 -4.56 -4.55 -4.60 12.77% CHEMBL275742 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -4.32 -4.67 -4.32 13.64% CHEMBL1437 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -5.00 -5.24 -5.05 6.52% CHEMBL290829 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -4.39 -4.75 -4.86 10.34% CHEMBL121565 Inactive 93.89%
CALCR_HUMAN calcitonin receptor -4.19 -4.13 -4.14 4.26% CHEMBL2369895 Inactive 99.99%
CCKAR_HUMAN cholecystokinin A receptor -4.21 -4.72 -5.14 6.52% CHEMBL317181 Inactive 99.99%
CCR1_HUMAN C-C motif chemokine receptor 1 -4.62 -4.88 -3.83 9.68% CHEMBL33761 Inactive 99.99%
CCR2_HUMAN C-C motif chemokine receptor 2 -4.45 -4.10 -4.12 13.64% CHEMBL18442 Inactive 99.99%
CCR4_HUMAN C-C motif chemokine receptor 4 -3.75 -3.96 -4.57 8.57% CHEMBL1618631 Inactive 99.99%
CCR5_HUMAN C-C motif chemokine receptor 5 -4.65 -5.12 -4.77 11.54% CHEMBL441635 Inactive 99.75%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -4.95 -5.08 -4.85 7.41% CHEMBL127842 Inactive 98.24%
CNR1_HUMAN cannabinoid receptor 1 -4.46 -4.59 -5.16 13.04% CHEMBL3809355 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -4.98 -4.94 N/A 16.22% CHEMBL264412 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -4.28 N/A N/A 10.34% CHEMBL184637 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -4.98 -3.67 -3.60 10.34% CHEMBL191413 Inactive 99.99%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -4.81 -4.79 -4.78 12.00% CHEMBL2205723 Inactive 99.25%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -4.76 -3.89 -4.47 13.64% CHEMBL18442 N/A N/A
DRD1_HUMAN dopamine receptor D1 -4.26 -3.87 -4.24 16.67% CHEMBL59 Inactive 99.99%
DRD2_HUMAN dopamine receptor D2 -4.96 N/A N/A 16.67% CHEMBL59 N/A N/A
DRD3_HUMAN dopamine receptor D3 -4.12 N/A N/A 16.67% CHEMBL59 N/A N/A
DRD4_HUMAN dopamine receptor D4 -4.43 -4.45 N/A 16.67% CHEMBL59 N/A N/A
DRD5_HUMAN dopamine receptor D5 -4.60 -4.58 -4.61 13.33% CHEMBL201525 Inactive 80.65%
EDNRA_HUMAN endothelin receptor type A -4.68 -4.70 -4.76 9.38% CHEMBL290026 Inactive 95.54%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -4.52 -4.64 -5.81 5.94% CHEMBL2391908 Inactive 84.83%
GASR_HUMAN cholecystokinin B receptor -4.33 -4.43 -3.14 7.50% CHEMBL38874 Inactive 99.99%
GRM1_HUMAN glutamate metabotropic receptor 1 -4.56 -4.80 -4.73 8.82% CHEMBL254372 Inactive 97.68%
GRM2_HUMAN glutamate metabotropic receptor 2 -5.08 -5.43 -5.09 10.91% CHEMBL2112585 Inactive 84.12%
GRM3_HUMAN glutamate metabotropic receptor 3 -5.18 -5.38 -5.04 10.91% CHEMBL2112584 Active 56.86%
GRM4_HUMAN glutamate metabotropic receptor 4 -4.32 -4.12 -4.36 8.96% CHEMBL578358 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -4.79 -5.56 -5.54 15.00% CHEMBL371811 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -4.88 -4.86 -4.88 5.41% CHEMBL566136 Inactive 95.32%
GRM7_HUMAN glutamate metabotropic receptor 7 -4.18 -4.31 -4.72 6.90% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -4.10 -4.43 -4.18 9.38% CHEMBL277475 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -5.35 N/A N/A 16.67% CHEMBL47482 N/A N/A
HRH2_HUMAN histamine receptor H2 -5.10 -4.46 -5.04 11.32% CHEMBL21731 Active 82.76%
HRH3_HUMAN histamine receptor H3 -4.70 -4.31 -3.99 18.75% CHEMBL209478 Inactive 99.99%
HRH4_HUMAN histamine receptor H4 -4.30 -3.91 -3.91 12.24% CHEMBL1934049 Inactive 99.99%
MC3R_HUMAN melanocortin 3 receptor -5.06 -4.55 -4.59 7.89% CHEMBL460349 Inactive 73.40%
MC4R_HUMAN melanocortin 4 receptor -3.51 -3.44 -4.35 15.79% CHEMBL195009 Inactive 99.99%
MC5R_HUMAN melanocortin 5 receptor -3.54 -5.04 -4.07 8.00% CHEMBL3962265 Inactive 99.99%
MSHR_HUMAN melanocortin 1 receptor -4.33 -4.16 -4.92 8.82% CHEMBL267020 Inactive 99.99%
NK1R_HUMAN tachykinin receptor 1 -4.50 -4.65 -3.91 11.54% CHEMBL71498 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -4.26 -4.43 -4.26 11.11% CHEMBL1289 Inactive 99.65%
NPBW1_HUMAN neuropeptides B and W receptor 1 -4.57 -3.90 -3.78 4.92% CHEMBL2000406 Inactive 99.99%
NPFF1_HUMAN neuropeptide FF receptor 1 -4.18 -3.99 -3.91 11.76% CHEMBL573297 Inactive 99.99%
NPSR1_HUMAN neuropeptide S receptor 1 -4.48 -4.74 -4.54 6.98% CHEMBL3086828 Inactive 85.71%
NPY1R_HUMAN neuropeptide Y receptor Y1 -4.68 -4.86 -4.14 11.76% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -4.37 -3.88 -4.05 11.76% CHEMBL3559801 Inactive 99.99%
NPY4R_HUMAN neuropeptide Y receptor Y4 -4.70 -3.99 -3.64 11.76% CHEMBL3559801 Inactive 99.99%
NPY5R_HUMAN neuropeptide Y receptor Y5 -4.00 -4.54 -4.03 11.76% CHEMBL3559801 Inactive 99.99%
OPRD_HUMAN opioid receptor delta 1 -4.61 -3.75 -3.56 13.33% CHEMBL127346 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -4.49 -4.44 -4.91 15.38% CHEMBL1188090 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -4.69 -3.80 -4.30 15.38% CHEMBL1188090 Inactive 99.99%
OPRX_HUMAN opioid related nociceptin receptor 1 -4.11 -3.91 -4.02 12.50% CHEMBL53256 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -4.66 -4.62 -4.99 8.00% CHEMBL297624 Inactive 94.57%
TAAR1_HUMAN trace amine associated receptor 1 -4.33 -4.46 -4.20 26.09% CHEMBL508991 Inactive 99.99%
TSHR_HUMAN thyroid stimulating hormone receptor -4.82 -4.48 -5.12 6.19% CHEMBL3908443 Inactive 92.61%
V1AR_HUMAN arginine vasopressin receptor 1A -4.65 -5.71 -4.38 8.70% CHEMBL1083095 Inactive 92.25%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -4.70 -4.19 -4.48 4.41% CHEMBL1784685 N/A N/A