YJING #63 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 -8.76 -8.51 -7.95 61.18% CHEMBL1254829 Active 83.82%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -9.21 -9.28 -9.18 54.32% CHEMBL140416 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.88 -8.73 -8.07 54.32% CHEMBL140416 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -9.19 -8.89 -9.26 28.46% CHEMBL2391541 Inactive 67.38%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -8.88 -8.60 -9.28 34.75% CHEMBL184994 Inactive 57.35%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.95 -9.47 N/A 53.47% CHEMBL3260337 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.42 -8.62 -9.11 44.76% CHEMBL3260334 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.56 -9.58 N/A 50.47% CHEMBL1091104 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -9.90 -9.62 -9.42 42.15% CHEMBL182590 Active 63.20%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.93 -8.35 -8.64 43.93% CHEMBL126667 Inactive 51.34%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.48 -7.70 -9.07 50.00% CHEMBL455332 Active 79.96%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.16 -8.28 -9.17 44.59% CHEMBL3581255 Active 72.32%
AA1R_HUMAN adenosine A1 receptor -9.30 -8.30 -8.96 38.27% CHEMBL3763972 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -8.83 -9.12 -9.80 38.27% CHEMBL3763972 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -8.31 -8.83 -8.16 33.15% CHEMBL199826 Inactive 68.02%
AA3R_HUMAN adenosine A3 receptor -8.24 -8.74 -9.80 40.00% CHEMBL27673 Inactive 67.29%
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.97 -6.03 N/A 44.66% CHEMBL221753 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -9.34 -8.01 -9.20 47.12% CHEMBL2151158 Active 63.06%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.30 -9.69 -10.05 45.00% CHEMBL521986 Active 72.75%
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.28 -8.83 N/A 44.66% CHEMBL221753 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -9.58 -9.90 -9.80 44.66% CHEMBL221753 Active 69.06%
ACTHR_HUMAN melanocortin 2 receptor -10.33 -10.71 -8.25 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.26 -8.82 -8.01 61.18% CHEMBL1254829 Active 77.68%
ADA2A_HUMAN adrenoceptor alpha 2A -7.29 -8.37 -3.97 46.23% CHEMBL4091137 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -10.06 -9.73 -10.22 51.04% CHEMBL2432051 Active 65.50%
ADA2C_HUMAN adrenoceptor alpha 2C -6.41 -3.77 -1.64 53.26% CHEMBL2432056 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -8.87 -8.87 -9.20 42.98% CHEMBL299175 Inactive 51.01%
ADRB2_HUMAN adrenoceptor beta 2 -7.85 -9.38 -8.49 47.47% CHEMBL3799593 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.14 -10.15 -9.06 47.24% CHEMBL105475 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -9.36 -9.22 -8.76 48.23% CHEMBL155987 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -9.36 -10.62 -10.27 31.91% CHEMBL210662 Inactive 65.07%
CALCR_HUMAN calcitonin receptor -8.29 -8.14 -8.76 18.03% CHEMBL2369895 Inactive 98.34%
CCKAR_HUMAN cholecystokinin A receptor -7.87 -8.23 -8.17 25.71% CHEMBL505225 Inactive 96.57%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.54 -7.43 -7.89 44.25% CHEMBL234622 Inactive 75.68%
CCR2_HUMAN C-C motif chemokine receptor 2 -8.72 -8.00 -7.87 39.34% CHEMBL272331 Inactive 54.03%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.61 -8.21 -9.14 54.64% CHEMBL1623307 Active 51.91%
CCR5_HUMAN C-C motif chemokine receptor 5 -9.10 -8.67 -8.69 48.70% CHEMBL233638 Inactive 78.15%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.72 -8.88 -9.11 37.68% CHEMBL128151 Inactive 89.75%
CNR1_HUMAN cannabinoid receptor 1 -9.29 -10.08 -9.69 58.77% CHEMBL260284 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -9.25 -9.93 N/A 50.00% CHEMBL3410829 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.41 N/A N/A 29.89% CHEMBL490688 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -9.02 -7.93 -6.72 33.82% CHEMBL3645131 Inactive 58.81%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.46 -9.05 -9.28 50.40% CHEMBL3952475 Inactive 65.78%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.15 -7.65 -7.78 37.37% CHEMBL3781301 N/A N/A
DRD1_HUMAN dopamine receptor D1 -9.26 -8.36 -8.44 47.47% CHEMBL3797876 Active 79.51%
DRD2_HUMAN dopamine receptor D2 -8.52 N/A N/A 58.02% CHEMBL101285 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.07 N/A N/A 58.02% CHEMBL101285 N/A N/A
DRD4_HUMAN dopamine receptor D4 -9.51 -9.23 N/A 58.02% CHEMBL101285 N/A N/A
DRD5_HUMAN dopamine receptor D5 -9.31 -9.49 -8.96 41.67% CHEMBL2334891 Active 80.19%
EDNRA_HUMAN endothelin receptor type A -7.73 -7.86 -8.20 47.01% CHEMBL48652 Active 54.56%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -1.93 -4.78 2.69 26.62% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.65 -8.31 -6.48 25.48% CHEMBL30756 Inactive 82.05%
GRM1_HUMAN glutamate metabotropic receptor 1 -8.46 -9.83 -8.73 25.88% CHEMBL3634432 Inactive 66.21%
GRM2_HUMAN glutamate metabotropic receptor 2 -5.73 -4.55 -4.80 54.72% CHEMBL485175 Active 61.18%
GRM3_HUMAN glutamate metabotropic receptor 3 -5.48 -8.10 -8.60 37.01% CHEMBL4081453 Inactive 95.08%
GRM4_HUMAN glutamate metabotropic receptor 4 -1.03 -1.39 -1.39 33.58% CHEMBL2023460 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -9.31 -8.83 -8.76 61.70% CHEMBL2151818 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -7.02 -8.15 -5.62 20.65% CHEMBL4101970 Inactive 89.32%
GRM7_HUMAN glutamate metabotropic receptor 7 -4.21 -3.22 -5.59 25.75% CHEMBL3560922 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -4.75 -4.40 -3.07 25.75% CHEMBL3560922 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -10.68 N/A N/A 44.17% CHEMBL402143 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.84 -8.02 -8.33 46.09% CHEMBL3735289 Active 98.23%
HRH3_HUMAN histamine receptor H3 -9.12 -7.51 -7.85 60.23% CHEMBL193978 Active 81.03%
HRH4_HUMAN histamine receptor H4 -8.51 -8.12 -8.37 38.26% CHEMBL1934062 Inactive 60.82%
MC3R_HUMAN melanocortin 3 receptor -8.75 -8.54 -7.93 31.65% CHEMBL257759 Inactive 69.74%
MC4R_HUMAN melanocortin 4 receptor -7.42 -7.49 -7.73 66.67% CHEMBL1501300 Active 79.96%
MC5R_HUMAN melanocortin 5 receptor -7.29 -9.94 -7.65 35.29% CHEMBL3932950 Inactive 66.01%
MSHR_HUMAN melanocortin 1 receptor -9.30 -8.50 -10.10 33.92% CHEMBL1682208 Inactive 62.05%
NK1R_HUMAN tachykinin receptor 1 -8.85 -9.48 -8.55 49.56% CHEMBL138056 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.89 -8.67 -8.79 49.46% CHEMBL4111499 Inactive 83.87%
NPBW1_HUMAN neuropeptides B and W receptor 1 -8.44 -7.05 -7.59 27.43% CHEMBL1940538 Inactive 88.63%
NPFF1_HUMAN neuropeptide FF receptor 1 -8.28 -8.48 -8.62 30.61% CHEMBL2208334 Inactive 71.79%
NPSR1_HUMAN neuropeptide S receptor 1 -8.69 -9.74 -8.43 27.22% CHEMBL469695 Inactive 69.20%
NPY1R_HUMAN neuropeptide Y receptor Y1 -9.24 -9.11 -8.03 38.35% CHEMBL2397291 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -8.08 -8.53 -7.56 35.61% CHEMBL2030193 Inactive 94.19%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.17 -8.46 -8.13 29.90% CHEMBL3559801 Inactive 72.45%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.21 -7.79 -8.36 43.31% CHEMBL445613 Active 50.59%
OPRD_HUMAN opioid receptor delta 1 -8.46 -7.05 -7.49 44.35% CHEMBL611163 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -8.86 -8.80 -9.23 51.35% CHEMBL384895 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -9.71 -8.41 -8.68 51.35% CHEMBL384895 Active 66.19%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.64 -7.62 -7.77 45.19% CHEMBL388122 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -7.84 -8.18 -9.27 37.61% CHEMBL297624 Active 50.78%
TAAR1_HUMAN trace amine associated receptor 1 -9.40 -8.89 -8.96 52.34% CHEMBL1391510 Inactive 57.38%
TSHR_HUMAN thyroid stimulating hormone receptor -9.26 -9.70 -9.83 36.67% CHEMBL1705547 Inactive 88.74%
V1AR_HUMAN arginine vasopressin receptor 1A -8.12 -7.81 -9.39 38.52% CHEMBL1084326 Inactive 87.43%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -9.11 -8.55 -8.18 22.04% CHEMBL520349 N/A N/A