YJING #62 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 -9.96 -9.37 -9.75 57.84% CHEMBL573531 Active 91.53%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -10.06 -10.13 -10.77 51.24% CHEMBL515472 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -10.13 -10.13 -9.80 52.80% CHEMBL100086 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -9.99 -10.07 -10.15 28.24% CHEMBL2391541 Active 69.47%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -10.00 -9.95 -10.39 36.99% CHEMBL184994 Active 59.51%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -11.14 -10.53 N/A 52.89% CHEMBL1093698 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -10.02 -9.85 -10.01 51.24% CHEMBL515472 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -9.55 -10.62 N/A 59.81% CHEMBL1091104 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -11.03 -10.82 -10.42 50.41% CHEMBL182590 Inactive 57.04%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -10.03 -9.60 -9.94 45.53% CHEMBL363678 Active 65.60%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -10.15 -10.39 -10.10 56.48% CHEMBL455332 Active 86.61%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -9.31 -10.09 -10.35 51.24% CHEMBL515472 Active 83.09%
AA1R_HUMAN adenosine A1 receptor -10.38 -9.53 -9.63 36.05% CHEMBL3763972 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -10.03 -10.19 -10.75 36.05% CHEMBL3763972 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -9.43 -10.00 -9.60 32.11% CHEMBL199826 Inactive 63.59%
AA3R_HUMAN adenosine A3 receptor -8.17 -7.22 -9.61 55.43% CHEMBL27673 Active 55.59%
ACM1_HUMAN cholinergic receptor muscarinic 1 -10.09 -3.10 N/A 55.43% CHEMBL27673 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -10.68 -9.34 -10.53 55.43% CHEMBL27673 Active 62.33%
ACM3_HUMAN cholinergic receptor muscarinic 3 -10.57 -11.48 -11.56 55.43% CHEMBL27673 Active 91.94%
ACM4_HUMAN cholinergic receptor muscarinic 4 -10.99 -9.67 N/A 56.86% CHEMBL2205825 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -10.49 -11.34 -11.31 55.43% CHEMBL27673 Active 93.72%
ACTHR_HUMAN melanocortin 2 receptor -10.77 -10.69 -9.37 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -9.82 -10.15 -9.79 50.00% CHEMBL1254829 Active 69.00%
ADA2A_HUMAN adrenoceptor alpha 2A -3.57 -2.79 -1.52 52.07% CHEMBL50588 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -10.69 -10.42 -10.96 68.48% CHEMBL2432051 Active 86.93%
ADA2C_HUMAN adrenoceptor alpha 2C -2.15 2.00 3.63 71.59% CHEMBL2432056 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -10.33 -9.72 -10.11 42.98% CHEMBL299175 Active 55.93%
ADRB2_HUMAN adrenoceptor beta 2 -9.83 -10.02 -10.77 56.07% CHEMBL1378531 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -10.99 -11.18 -10.70 43.80% CHEMBL105475 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -10.81 -10.88 -10.65 47.83% CHEMBL154057 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -10.78 -11.83 -10.62 35.23% CHEMBL559565 Inactive 59.57%
CALCR_HUMAN calcitonin receptor -9.48 -8.93 -8.83 22.83% CHEMBL2369895 Inactive 98.37%
CCKAR_HUMAN cholecystokinin A receptor -9.35 -9.45 -10.18 29.37% CHEMBL206025 Inactive 59.57%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.93 -8.99 -8.39 41.73% CHEMBL2398763 Inactive 57.51%
CCR2_HUMAN C-C motif chemokine receptor 2 -10.03 -8.89 -8.80 44.22% CHEMBL3417124 Inactive 51.16%
CCR4_HUMAN C-C motif chemokine receptor 4 -8.45 -9.08 -9.66 52.50% CHEMBL1907216 Active 67.50%
CCR5_HUMAN C-C motif chemokine receptor 5 -9.48 -9.43 -8.96 52.71% CHEMBL556798 Active 54.39%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -9.49 -10.36 -11.13 37.93% CHEMBL128151 Active 52.68%
CNR1_HUMAN cannabinoid receptor 1 -10.01 -11.06 -11.44 61.86% CHEMBL259425 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -11.86 -11.40 N/A 53.72% CHEMBL519043 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -5.02 N/A N/A 30.37% CHEMBL490688 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -10.09 -9.07 -7.73 38.13% CHEMBL3645131 Inactive 67.48%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -10.15 -10.33 -10.33 59.02% CHEMBL3697121 Active 92.90%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.21 -8.53 -8.82 47.47% CHEMBL3781301 N/A N/A
DRD1_HUMAN dopamine receptor D1 -10.14 -9.23 -8.96 51.24% CHEMBL402143 Active 80.61%
DRD2_HUMAN dopamine receptor D2 -10.03 N/A N/A 54.92% CHEMBL161916 N/A N/A
DRD3_HUMAN dopamine receptor D3 -9.72 N/A N/A 57.02% CHEMBL2112607 N/A N/A
DRD4_HUMAN dopamine receptor D4 -10.58 -10.78 N/A 59.38% CHEMBL59075 N/A N/A
DRD5_HUMAN dopamine receptor D5 -10.28 -10.84 -10.18 47.50% CHEMBL517244 Active 92.78%
EDNRA_HUMAN endothelin receptor type A -7.73 -8.70 -8.73 41.36% CHEMBL128479 Active 63.93%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 1.74 -1.90 13.79 28.28% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -10.01 -8.99 -6.20 32.93% CHEMBL329286 Inactive 54.76%
GRM1_HUMAN glutamate metabotropic receptor 1 -10.04 -9.89 -8.49 33.08% CHEMBL1269125 Inactive 65.41%
GRM2_HUMAN glutamate metabotropic receptor 2 -0.69 -4.78 1.42 50.00% CHEMBL485175 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -2.99 -7.87 -6.97 48.39% CHEMBL4081453 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 0.64 0.54 2.01 34.03% CHEMBL2023460 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -8.89 -9.74 -8.90 62.00% CHEMBL2151818 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -5.31 -6.73 -4.94 21.19% CHEMBL2381649 Inactive 87.40%
GRM7_HUMAN glutamate metabotropic receptor 7 -2.71 -3.44 -4.89 29.32% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 0.65 -2.25 0.42 30.08% CHEMBL95868 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -8.87 N/A N/A 51.24% CHEMBL402143 N/A N/A
HRH2_HUMAN histamine receptor H2 -11.69 -9.09 -9.47 44.07% CHEMBL2205813 Active 98.06%
HRH3_HUMAN histamine receptor H3 -9.82 -9.31 -9.12 71.59% CHEMBL193978 Active 92.85%
HRH4_HUMAN histamine receptor H4 -9.76 -10.18 -9.65 46.96% CHEMBL1934062 Inactive 64.16%
MC3R_HUMAN melanocortin 3 receptor -9.96 -9.33 -8.93 42.07% CHEMBL398929 Active 54.41%
MC4R_HUMAN melanocortin 4 receptor -8.09 -7.25 -7.80 65.05% CHEMBL1501300 Active 63.22%
MC5R_HUMAN melanocortin 5 receptor -7.49 -10.18 -7.89 39.10% CHEMBL3932950 Inactive 62.17%
MSHR_HUMAN melanocortin 1 receptor -9.38 -8.85 -10.55 35.90% CHEMBL1682209 Inactive 57.51%
NK1R_HUMAN tachykinin receptor 1 -9.48 -10.17 -9.54 54.39% CHEMBL1817830 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -9.36 -9.55 -9.90 46.48% CHEMBL369174 Active 51.55%
NPBW1_HUMAN neuropeptides B and W receptor 1 -9.58 -7.92 -8.72 36.26% CHEMBL1940538 Inactive 74.64%
NPFF1_HUMAN neuropeptide FF receptor 1 -9.50 -9.54 -9.77 37.41% CHEMBL2208334 Inactive 65.49%
NPSR1_HUMAN neuropeptide S receptor 1 -9.75 -10.97 -10.71 31.35% CHEMBL1801360 Active 80.05%
NPY1R_HUMAN neuropeptide Y receptor Y1 -10.72 -10.13 -8.58 50.44% CHEMBL549851 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -9.75 -9.24 -9.26 43.18% CHEMBL2030193 Active 53.11%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.76 -9.83 -9.30 33.33% CHEMBL3559801 Inactive 98.79%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.51 -8.56 -9.27 56.10% CHEMBL445613 Active 85.37%
OPRD_HUMAN opioid receptor delta 1 -8.45 -7.87 -7.87 49.07% CHEMBL4069480 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -10.60 -9.49 -10.93 63.30% CHEMBL384895 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -10.23 -8.56 -9.07 63.30% CHEMBL384895 Active 91.54%
OPRX_HUMAN opioid related nociceptin receptor 1 -8.90 -8.14 -9.10 55.56% CHEMBL3928651 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -9.47 -9.02 -9.08 40.43% CHEMBL53585 Active 56.21%
TAAR1_HUMAN trace amine associated receptor 1 -10.13 -10.91 -9.74 51.85% CHEMBL1391510 Active 51.15%
TSHR_HUMAN thyroid stimulating hormone receptor -11.29 -10.90 -11.84 37.65% CHEMBL1315387 Active 52.15%
V1AR_HUMAN arginine vasopressin receptor 1A -9.29 -9.63 -9.96 51.69% CHEMBL1084326 Active 58.09%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -10.09 -9.43 -10.28 25.40% CHEMBL520349 N/A N/A