ZJH-P #11 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 -9.34 -5.67 -9.33 17.65% CHEMBL3769446 Inactive 86.47%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -10.17 -10.75 -7.33 15.05% CHEMBL2205816 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.67 -9.66 -10.27 13.98% CHEMBL110318 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -9.96 -8.21 -9.70 7.97% CHEMBL22744 Inactive 64.13%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -11.30 -11.44 -9.60 8.80% CHEMBL365405 Inactive 83.99%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -10.48 -7.00 N/A 24.53% CHEMBL1123 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -9.76 -9.61 -7.54 30.43% CHEMBL547 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.55 -9.51 N/A 24.53% CHEMBL1123 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -8.97 -10.47 -8.87 16.82% CHEMBL555447 Inactive 85.30%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -6.59 -9.70 -8.74 13.04% CHEMBL191460 Inactive 56.57%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.84 -8.48 -7.81 17.39% CHEMBL1909065 Inactive 53.06%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -9.12 -7.29 -7.18 17.46% CHEMBL485803 Inactive 80.11%
AA1R_HUMAN adenosine A1 receptor -9.26 -10.26 -1.84 27.27% CHEMBL3314905 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -7.40 -7.95 -3.73 27.27% CHEMBL3314905 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -9.35 -10.00 -8.49 14.39% CHEMBL217076 Inactive 81.57%
AA3R_HUMAN adenosine A3 receptor 6.46 11.57 2.14 27.27% CHEMBL3314905 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 2.23 24.85 N/A 25.32% CHEMBL2205823 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.75 -9.67 -6.92 74.07% CHEMBL1200623 Active 91.34%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.67 -6.62 -8.68 25.76% CHEMBL1189234 Inactive 63.54%
ACM4_HUMAN cholinergic receptor muscarinic 4 -3.92 -6.34 N/A 25.32% CHEMBL2205823 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -9.66 -8.06 -6.48 25.32% CHEMBL2205823 Inactive 52.41%
ACTHR_HUMAN melanocortin 2 receptor -10.00 -9.45 -10.73 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -9.48 -8.97 -9.17 17.39% CHEMBL1909065 Inactive 65.19%
ADA2A_HUMAN adrenoceptor alpha 2A 15.24 8.99 21.32 28.57% CHEMBL191703 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -7.93 -4.41 -1.27 17.39% CHEMBL1909065 Inactive 99.99%
ADA2C_HUMAN adrenoceptor alpha 2C 22.76 29.83 34.66 28.57% CHEMBL191703 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -10.21 -8.56 -9.94 12.36% CHEMBL1263 Inactive 70.21%
ADRB2_HUMAN adrenoceptor beta 2 -8.38 -5.29 -9.95 13.40% CHEMBL1569630 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -10.25 -7.13 -10.00 14.02% CHEMBL3747487 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -9.80 -10.63 -9.72 11.76% CHEMBL376286 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -7.11 -8.26 -9.30 11.11% CHEMBL3142597 Inactive 91.73%
CALCR_HUMAN calcitonin receptor -9.39 -8.95 -9.72 7.33% CHEMBL2369895 Inactive 97.83%
CCKAR_HUMAN cholecystokinin A receptor -8.19 -8.06 -9.95 11.11% CHEMBL206025 Inactive 94.23%
CCR1_HUMAN C-C motif chemokine receptor 1 -9.45 -8.52 -8.44 16.00% CHEMBL3138187 Inactive 72.94%
CCR2_HUMAN C-C motif chemokine receptor 2 -9.38 -9.37 -8.98 24.32% CHEMBL3753178 Inactive 68.45%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.42 -7.93 -8.62 14.56% CHEMBL1907216 Inactive 78.13%
CCR5_HUMAN C-C motif chemokine receptor 5 -9.96 -9.77 -10.07 21.95% CHEMBL468150 Inactive 62.85%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.37 -10.23 -7.19 15.93% CHEMBL285954 Inactive 86.41%
CNR1_HUMAN cannabinoid receptor 1 -7.52 -7.88 -7.45 36.36% CHEMBL146346 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -7.36 -9.39 N/A 41.38% CHEMBL3360190 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 15.68 N/A N/A 8.67% CHEMBL556862 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.88 -8.88 -8.72 16.51% CHEMBL3645131 Inactive 72.09%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -9.94 -10.51 -9.93 16.67% CHEMBL2205723 Inactive 66.42%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.16 -8.02 -9.83 13.11% CHEMBL2170299 N/A N/A
DRD1_HUMAN dopamine receptor D1 -10.48 -11.06 -9.79 16.87% CHEMBL1779058 Inactive 59.27%
DRD2_HUMAN dopamine receptor D2 -8.56 N/A N/A 18.03% CHEMBL162762 N/A N/A
DRD3_HUMAN dopamine receptor D3 -9.53 N/A N/A 24.53% CHEMBL1123 N/A N/A
DRD4_HUMAN dopamine receptor D4 -7.71 -7.79 N/A 18.03% CHEMBL162762 N/A N/A
DRD5_HUMAN dopamine receptor D5 -2.14 -8.03 -1.36 12.00% CHEMBL517244 Inactive 99.99%
EDNRA_HUMAN endothelin receptor type A -8.43 -8.80 -8.52 13.58% CHEMBL286808 Inactive 75.22%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 20.55 18.70 74.24 12.04% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -9.46 -8.46 -8.18 15.89% CHEMBL31093 Inactive 72.26%
GRM1_HUMAN glutamate metabotropic receptor 1 -10.50 -5.42 -2.32 30.95% CHEMBL38499 Inactive 99.99%
GRM2_HUMAN glutamate metabotropic receptor 2 18.88 23.92 20.87 40.82% CHEMBL2381641 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 14.97 12.76 7.68 40.82% CHEMBL2381641 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 26.91 21.16 19.98 15.85% CHEMBL578988 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 0.83 9.93 5.41 30.23% CHEMBL90501 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 13.46 8.11 11.69 40.82% CHEMBL2381641 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 21.60 23.01 15.56 12.63% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 25.85 20.27 27.53 26.83% CHEMBL280563 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 7.51 N/A N/A 24.05% CHEMBL1101 N/A N/A
HRH2_HUMAN histamine receptor H2 -8.24 -9.29 -9.33 17.72% CHEMBL2205812 Active 74.13%
HRH3_HUMAN histamine receptor H3 -6.28 -9.43 -11.00 28.57% CHEMBL191703 Inactive 64.03%
HRH4_HUMAN histamine receptor H4 -9.42 -8.38 -8.93 15.79% CHEMBL1824228 Inactive 85.07%
MC3R_HUMAN melanocortin 3 receptor -8.23 -8.59 -7.61 12.66% CHEMBL407135 Inactive 80.06%
MC4R_HUMAN melanocortin 4 receptor -7.18 -7.70 -8.94 19.40% CHEMBL1519347 Inactive 58.29%
MC5R_HUMAN melanocortin 5 receptor -3.03 -4.95 -4.17 12.66% CHEMBL407135 Inactive 99.99%
MSHR_HUMAN melanocortin 1 receptor -8.02 -8.73 -8.73 11.76% CHEMBL339053 Inactive 81.52%
NK1R_HUMAN tachykinin receptor 1 -9.38 -8.70 -9.16 17.50% CHEMBL213726 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -10.92 -11.08 -10.89 13.93% CHEMBL1683153 Inactive 55.14%
NPBW1_HUMAN neuropeptides B and W receptor 1 -9.26 -9.23 -9.45 8.39% CHEMBL1940538 Inactive 81.24%
NPFF1_HUMAN neuropeptide FF receptor 1 -10.01 -10.32 -9.89 8.51% CHEMBL3361424 Inactive 70.28%
NPSR1_HUMAN neuropeptide S receptor 1 -10.00 -9.91 -7.99 9.76% CHEMBL1801330 Inactive 65.33%
NPY1R_HUMAN neuropeptide Y receptor Y1 -12.02 -10.60 -11.05 20.34% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -9.68 -9.64 -9.14 20.34% CHEMBL3559801 Inactive 75.22%
NPY4R_HUMAN neuropeptide Y receptor Y4 -10.60 -10.58 -10.40 20.34% CHEMBL3559801 Inactive 99.64%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.58 -9.26 -8.72 20.34% CHEMBL3559801 Inactive 78.74%
OPRD_HUMAN opioid receptor delta 1 -9.61 -7.43 -8.63 21.67% CHEMBL3326796 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -13.16 -9.14 -10.72 29.69% CHEMBL2022306 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -11.32 -9.36 -9.10 25.00% CHEMBL394695 Inactive 57.86%
OPRX_HUMAN opioid related nociceptin receptor 1 -9.44 -9.40 -10.38 23.73% CHEMBL3937167 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.80 -9.54 -10.04 23.08% CHEMBL371569 Inactive 61.50%
TAAR1_HUMAN trace amine associated receptor 1 -8.43 -9.87 -10.14 23.26% CHEMBL1724146 Inactive 73.10%
TSHR_HUMAN thyroid stimulating hormone receptor -8.18 -7.53 -5.89 11.57% CHEMBL3945037 Inactive 90.87%
V1AR_HUMAN arginine vasopressin receptor 1A -8.65 -9.03 -9.61 13.27% CHEMBL1807280 Inactive 95.68%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -9.55 -10.52 -9.48 6.02% CHEMBL483749 N/A N/A