YJING #61 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 -8.38 -9.15 -8.95 51.49% CHEMBL200446 Active 87.36%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -10.12 -10.00 -10.34 36.89% CHEMBL144030 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -10.15 -9.42 -9.21 36.89% CHEMBL144030 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -9.80 -10.29 -10.19 26.32% CHEMBL2391541 Active 71.17%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -9.28 -9.77 -9.43 23.33% CHEMBL39 Inactive 76.28%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -10.25 -10.56 N/A 45.95% CHEMBL3260334 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.86 -9.76 -10.36 45.95% CHEMBL3260334 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -9.66 -9.79 N/A 45.95% CHEMBL3260334 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -10.55 -10.74 -10.42 33.33% CHEMBL550302 Inactive 82.70%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -9.66 -8.88 -9.85 29.19% CHEMBL401745 Inactive 55.56%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.95 -8.69 -9.16 45.95% CHEMBL3260334 Active 84.34%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -9.11 -9.43 -9.93 37.50% CHEMBL1094908 Active 61.45%
AA1R_HUMAN adenosine A1 receptor -10.56 -10.06 -9.73 33.33% CHEMBL3926610 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -9.65 -9.75 -10.35 33.09% CHEMBL406714 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -9.77 -10.18 -8.78 28.71% CHEMBL382234 Inactive 71.40%
AA3R_HUMAN adenosine A3 receptor -7.91 -9.37 -10.29 30.87% CHEMBL3601563 Inactive 57.88%
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.79 -4.75 N/A 35.19% CHEMBL114379 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -10.27 -9.38 -10.12 40.40% CHEMBL55 Inactive 54.39%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.96 -10.63 -10.53 34.78% CHEMBL41 Active 54.14%
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.27 -9.83 N/A 40.40% CHEMBL55 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -10.02 -10.57 -10.72 34.78% CHEMBL41 Active 81.19%
ACTHR_HUMAN melanocortin 2 receptor -11.32 -11.15 -9.38 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.86 -9.82 -8.61 51.49% CHEMBL200446 Active 51.36%
ADA2A_HUMAN adrenoceptor alpha 2A -6.60 -7.37 -2.36 40.40% CHEMBL55 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -10.89 -10.66 -10.93 34.78% CHEMBL2432051 Inactive 54.41%
ADA2C_HUMAN adrenoceptor alpha 2C -0.89 -0.49 -1.73 44.72% CHEMBL3735289 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.36 -9.77 -9.84 36.07% CHEMBL38569 Active 58.14%
ADRB2_HUMAN adrenoceptor beta 2 -9.85 -10.37 -10.50 37.93% CHEMBL41113 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.78 -11.21 -9.86 37.93% CHEMBL41113 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -10.08 -10.00 -9.81 38.24% CHEMBL156165 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -10.05 -10.71 -10.39 34.19% CHEMBL562747 Inactive 62.14%
CALCR_HUMAN calcitonin receptor -8.82 -9.04 -9.46 16.46% CHEMBL2369886 Inactive 98.16%
CCKAR_HUMAN cholecystokinin A receptor -9.09 -8.64 -9.79 27.94% CHEMBL479063 Inactive 83.01%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.37 -9.48 -8.74 37.98% CHEMBL143690 Inactive 61.73%
CCR2_HUMAN C-C motif chemokine receptor 2 -9.28 -8.88 -8.57 33.57% CHEMBL340450 Inactive 63.00%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.79 -9.30 -9.62 37.17% CHEMBL1618631 Active 51.25%
CCR5_HUMAN C-C motif chemokine receptor 5 -9.17 -9.10 -8.31 47.37% CHEMBL240639 Inactive 75.04%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -9.41 -8.35 -10.27 36.08% CHEMBL3927834 Inactive 66.81%
CNR1_HUMAN cannabinoid receptor 1 -10.18 -10.98 -10.94 43.15% CHEMBL405888 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -10.87 -10.91 N/A 37.06% CHEMBL3116281 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -5.79 N/A N/A 30.77% CHEMBL376621 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -9.94 -8.65 -8.82 30.77% CHEMBL376621 Inactive 76.71%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -9.92 -9.99 -9.63 41.43% CHEMBL3952475 Inactive 57.40%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.44 -9.00 -8.21 29.60% CHEMBL126657 N/A N/A
DRD1_HUMAN dopamine receptor D1 -9.98 -9.31 -9.66 36.84% CHEMBL3797876 Inactive 51.32%
DRD2_HUMAN dopamine receptor D2 -9.54 N/A N/A 37.19% CHEMBL255163 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.50 N/A N/A 36.84% CHEMBL3799593 N/A N/A
DRD4_HUMAN dopamine receptor D4 -10.05 -10.26 N/A 42.62% CHEMBL404888 N/A N/A
DRD5_HUMAN dopamine receptor D5 -10.18 -9.71 -9.78 34.68% CHEMBL1940404 Active 77.29%
EDNRA_HUMAN endothelin receptor type A -8.91 -7.76 -8.07 35.82% CHEMBL48652 Inactive 57.05%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -2.09 -4.92 6.56 24.00% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.89 -8.95 -7.34 24.64% CHEMBL9188 Inactive 74.84%
GRM1_HUMAN glutamate metabotropic receptor 1 -9.42 -10.83 -8.52 25.58% CHEMBL3942033 Inactive 57.57%
GRM2_HUMAN glutamate metabotropic receptor 2 -3.50 -4.88 -1.47 36.08% CHEMBL3927834 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -5.60 -6.74 -8.60 25.17% CHEMBL4081453 Inactive 93.09%
GRM4_HUMAN glutamate metabotropic receptor 4 -1.03 -0.56 -0.30 35.92% CHEMBL2023460 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -9.60 -9.74 -9.88 43.31% CHEMBL377706 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -6.99 -8.55 -5.87 15.50% CHEMBL1585091 Inactive 95.01%
GRM7_HUMAN glutamate metabotropic receptor 7 -3.28 -4.17 -5.90 25.00% CHEMBL3560922 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -3.41 -3.79 -0.26 25.00% CHEMBL3560922 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -10.23 N/A N/A 35.92% CHEMBL408868 N/A N/A
HRH2_HUMAN histamine receptor H2 -10.64 -8.79 -9.41 44.72% CHEMBL3735289 Active 98.16%
HRH3_HUMAN histamine receptor H3 -9.05 -8.72 -9.07 47.37% CHEMBL231146 Active 72.92%
HRH4_HUMAN histamine receptor H4 -9.97 -9.73 -9.68 33.82% CHEMBL1914533 Inactive 74.88%
MC3R_HUMAN melanocortin 3 receptor -9.94 -9.00 -9.04 26.74% CHEMBL257759 Inactive 67.01%
MC4R_HUMAN melanocortin 4 receptor -8.06 -8.06 -8.50 58.88% CHEMBL1501300 Active 84.78%
MC5R_HUMAN melanocortin 5 receptor -8.10 -10.76 -7.72 26.90% CHEMBL3932950 Inactive 84.34%
MSHR_HUMAN melanocortin 1 receptor -10.46 -9.59 -11.22 24.48% CHEMBL1682208 Inactive 63.86%
NK1R_HUMAN tachykinin receptor 1 -8.94 -9.60 -9.10 38.18% CHEMBL93909 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.76 -9.58 -9.85 58.51% CHEMBL4111499 Active 71.89%
NPBW1_HUMAN neuropeptides B and W receptor 1 -8.96 -7.96 -8.47 27.87% CHEMBL1970107 Inactive 85.09%
NPFF1_HUMAN neuropeptide FF receptor 1 -9.65 -9.07 -8.77 27.59% CHEMBL575058 Inactive 80.22%
NPSR1_HUMAN neuropeptide S receptor 1 -9.67 -10.45 -10.20 29.38% CHEMBL1801358 Active 60.04%
NPY1R_HUMAN neuropeptide Y receptor Y1 -10.82 -9.20 -8.49 30.20% CHEMBL2397291 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.86 -8.35 -7.98 28.08% CHEMBL564159 Inactive 95.15%
NPY4R_HUMAN neuropeptide Y receptor Y4 -9.07 -8.97 -9.51 27.10% CHEMBL3559801 Inactive 98.81%
NPY5R_HUMAN neuropeptide Y receptor Y5 -9.14 -9.16 -9.08 31.51% CHEMBL445613 Active 59.62%
OPRD_HUMAN opioid receptor delta 1 -8.47 -7.21 -7.76 35.19% CHEMBL114379 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.61 -9.03 -10.19 36.92% CHEMBL384895 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -9.90 -8.86 -9.54 36.92% CHEMBL384895 Inactive 62.69%
OPRX_HUMAN opioid related nociceptin receptor 1 -8.49 -8.46 -8.48 35.19% CHEMBL114379 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.20 -7.68 -9.37 34.45% CHEMBL297624 Active 55.16%
TAAR1_HUMAN trace amine associated receptor 1 -10.27 -9.98 -9.97 45.74% CHEMBL294703 Inactive 53.76%
TSHR_HUMAN thyroid stimulating hormone receptor -10.35 -10.61 -10.63 30.30% CHEMBL1705547 Inactive 68.59%
V1AR_HUMAN arginine vasopressin receptor 1A -8.70 -8.95 -10.11 31.65% CHEMBL1083443 Inactive 89.79%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -9.65 -9.50 -9.06 22.10% CHEMBL1784685 N/A N/A