vs-17 #9 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 -7.95 -7.89 -8.46 46.40% CHEMBL1946779 Active 59.62%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.68 -8.39 -8.68 41.09% CHEMBL515472 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.41 -8.40 -7.51 43.94% CHEMBL100086 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -7.63 -9.30 -8.74 26.52% CHEMBL2391541 Active 56.49%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -8.37 -8.28 -8.39 27.15% CHEMBL104374 Inactive 59.57%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.46 -9.02 N/A 50.74% CHEMBL381664 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.81 -8.52 -8.48 44.09% CHEMBL454770 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.21 -8.03 N/A 50.74% CHEMBL381664 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -8.63 -8.20 -7.06 42.02% CHEMBL1258560 Inactive 61.50%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.72 -6.67 -7.43 37.29% CHEMBL278751 Inactive 59.35%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.16 -7.75 -8.10 44.14% CHEMBL484608 Active 57.83%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.49 -8.08 -8.18 46.88% CHEMBL487192 Active 58.86%
AA1R_HUMAN adenosine A1 receptor -7.94 -8.29 -7.22 36.36% CHEMBL1544 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -7.86 -7.96 -9.13 31.95% CHEMBL3317576 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -8.17 -8.22 -8.16 31.95% CHEMBL3317576 Inactive 62.64%
AA3R_HUMAN adenosine A3 receptor -6.76 -6.85 -8.06 40.16% CHEMBL513389 Active 50.76%
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.48 -3.85 N/A 43.69% CHEMBL72506 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.14 -7.79 -8.67 47.41% CHEMBL74305 Active 60.22%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.38 -9.19 -8.60 45.08% CHEMBL1773265 Active 65.29%
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.48 -7.24 N/A 38.95% CHEMBL240022 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -8.95 -9.31 -7.62 42.11% CHEMBL3629534 Active 83.93%
ACTHR_HUMAN melanocortin 2 receptor -9.13 -9.10 -7.41 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.25 -7.66 -7.87 46.40% CHEMBL1946779 Active 53.04%
ADA2A_HUMAN adrenoceptor alpha 2A -2.18 -5.78 -1.49 43.84% CHEMBL193435 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -8.80 -9.32 -7.16 39.13% CHEMBL1437 Active 60.18%
ADA2C_HUMAN adrenoceptor alpha 2C -3.12 -2.83 -1.09 43.84% CHEMBL193435 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.03 -7.76 -7.78 50.43% CHEMBL1086536 Active 62.81%
ADRB2_HUMAN adrenoceptor beta 2 -7.22 -7.41 -7.93 50.43% CHEMBL1086536 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -8.71 -8.03 -8.39 50.43% CHEMBL1086536 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -7.49 -7.55 -7.19 33.74% CHEMBL155987 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -9.07 -9.09 -9.19 23.36% CHEMBL130438 Inactive 85.28%
CALCR_HUMAN calcitonin receptor -7.37 -7.46 -7.51 21.62% CHEMBL2369895 Inactive 98.43%
CCKAR_HUMAN cholecystokinin A receptor -7.32 -7.79 -8.73 30.11% CHEMBL249151 Inactive 96.13%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.99 -7.58 -7.60 40.48% CHEMBL143690 Inactive 90.52%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.34 -7.67 -6.94 38.61% CHEMBL3589844 Inactive 92.08%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.12 -7.24 -8.09 31.88% CHEMBL1907216 Inactive 73.39%
CCR5_HUMAN C-C motif chemokine receptor 5 -6.93 -7.20 -7.41 37.32% CHEMBL504250 Inactive 99.05%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.00 -8.11 -8.74 37.21% CHEMBL1214531 Inactive 90.76%
CNR1_HUMAN cannabinoid receptor 1 -7.11 -9.02 -8.54 60.00% CHEMBL1923765 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -8.57 -8.40 N/A 60.00% CHEMBL1923765 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.88 N/A N/A 24.62% CHEMBL490688 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.34 -7.52 -7.09 29.05% CHEMBL3645131 Inactive 65.94%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.73 -9.01 -8.76 34.23% CHEMBL3920319 Inactive 87.57%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.33 -6.99 -8.15 28.32% CHEMBL1644072 N/A N/A
DRD1_HUMAN dopamine receptor D1 -8.41 -8.87 -8.31 55.00% CHEMBL431220 Active 70.79%
DRD2_HUMAN dopamine receptor D2 -7.72 N/A N/A 50.71% CHEMBL171826 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.02 N/A N/A 50.71% CHEMBL171825 N/A N/A
DRD4_HUMAN dopamine receptor D4 -8.19 -8.36 N/A 49.54% CHEMBL3800303 N/A N/A
DRD5_HUMAN dopamine receptor D5 -9.32 -9.31 -7.22 38.18% CHEMBL231171 Inactive 66.00%
EDNRA_HUMAN endothelin receptor type A -7.25 -7.32 -7.36 54.14% CHEMBL64200 Active 75.43%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -0.11 -3.66 5.32 18.59% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -7.80 -7.25 -6.72 33.70% CHEMBL452991 Inactive 83.24%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.38 -7.63 -7.55 39.45% CHEMBL254372 Inactive 62.03%
GRM2_HUMAN glutamate metabotropic receptor 2 -1.43 0.73 -1.83 42.73% CHEMBL341457 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -3.24 -5.21 -6.54 42.73% CHEMBL341457 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 1.18 0.06 -1.80 24.84% CHEMBL3114673 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -10.04 -6.02 -6.63 43.86% CHEMBL1682820 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -3.88 -8.67 -4.57 21.19% CHEMBL275079 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 -4.46 -2.35 -2.67 31.54% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -1.87 -1.55 -0.89 31.54% CHEMBL432038 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -6.77 N/A N/A 45.04% CHEMBL258930 N/A N/A
HRH2_HUMAN histamine receptor H2 -8.79 -7.72 -7.80 41.23% CHEMBL422931 Active 97.54%
HRH3_HUMAN histamine receptor H3 -7.45 -8.61 -8.70 54.13% CHEMBL1822856 Active 76.34%
HRH4_HUMAN histamine receptor H4 -9.14 -9.11 -9.14 36.00% CHEMBL1934064 Inactive 66.33%
MC3R_HUMAN melanocortin 3 receptor -7.77 -7.34 -7.17 32.32% CHEMBL380120 Inactive 72.47%
MC4R_HUMAN melanocortin 4 receptor -7.17 -6.90 -6.84 34.13% CHEMBL1501300 Inactive 94.09%
MC5R_HUMAN melanocortin 5 receptor -6.97 -7.92 -4.67 24.86% CHEMBL1209788 Inactive 95.39%
MSHR_HUMAN melanocortin 1 receptor -7.46 -7.36 -7.63 32.95% CHEMBL4113490 Inactive 71.25%
NK1R_HUMAN tachykinin receptor 1 -8.01 -7.75 -7.83 54.63% CHEMBL140101 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -7.72 -8.20 -8.05 41.45% CHEMBL284269 Inactive 98.46%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.67 -7.59 -8.09 28.73% CHEMBL2001553 Inactive 91.18%
NPFF1_HUMAN neuropeptide FF receptor 1 -7.50 -7.64 -8.34 22.56% CHEMBL2208334 Inactive 77.25%
NPSR1_HUMAN neuropeptide S receptor 1 -7.93 -8.50 -8.64 34.12% CHEMBL1801358 Inactive 61.37%
NPY1R_HUMAN neuropeptide Y receptor Y1 -8.54 -8.41 -8.07 43.62% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.70 -7.61 -7.55 43.62% CHEMBL3559801 Inactive 91.67%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.46 -8.53 -8.27 43.62% CHEMBL3559801 Inactive 74.46%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.21 -7.68 -7.59 43.62% CHEMBL3559801 Inactive 69.27%
OPRD_HUMAN opioid receptor delta 1 -7.07 -6.35 -6.88 51.46% CHEMBL1237044 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -8.29 -7.77 -7.97 53.57% CHEMBL2022021 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.24 -6.99 -7.86 57.55% CHEMBL257264 Active 50.45%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.69 -8.11 -6.97 45.16% CHEMBL3581755 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -7.73 -7.51 -7.88 74.73% CHEMBL297624 Active 97.68%
TAAR1_HUMAN trace amine associated receptor 1 -9.06 -9.34 -8.97 40.00% CHEMBL3195509 Inactive 70.47%
TSHR_HUMAN thyroid stimulating hormone receptor -8.78 -8.79 -8.66 22.94% CHEMBL3913851 Inactive 97.52%
V1AR_HUMAN arginine vasopressin receptor 1A -7.22 -7.67 -7.30 33.56% CHEMBL3416859 Inactive 93.35%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -8.03 -8.17 -7.83 20.00% CHEMBL3884667 N/A N/A