chongqian #65 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 -7.15 -7.65 11.11% CHEMBL146942 Inactive 94.71%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.29 -8.35 -8.35 11.11% CHEMBL146942 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.06 -7.33 -8.53 8.57% CHEMBL414420 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -7.46 -7.67 -7.48 4.62% CHEMBL22744 Inactive 50.85%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -7.93 -8.21 -8.29 4.90% CHEMBL361061 Inactive 78.32%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.07 -9.05 N/A 20.00% CHEMBL334255 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.68 -7.69 -8.08 14.63% CHEMBL547 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.76 -9.30 N/A 20.00% CHEMBL334255 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -8.77 -8.84 -7.95 6.80% CHEMBL556438 Inactive 92.56%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.26 -7.80 -7.20 7.06% CHEMBL191460 Inactive 89.72%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.36 -7.66 -8.34 17.24% CHEMBL98511 Inactive 70.56%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -7.67 -7.93 -7.75 11.11% CHEMBL146942 Inactive 73.72%
AA1R_HUMAN adenosine A1 receptor -8.60 -7.81 -8.27 16.22% CHEMBL3314905 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -8.32 -8.24 -8.89 16.22% CHEMBL3314905 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -6.98 -8.06 -7.20 6.60% CHEMBL3093327 Inactive 80.72%
AA3R_HUMAN adenosine A3 receptor -8.85 -9.08 -7.77 16.22% CHEMBL3314905 Active 62.05%
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.19 -8.17 N/A 25.00% CHEMBL75880 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -7.96 -7.37 -8.84 28.00% CHEMBL2432039 Inactive 58.12%
ACM3_HUMAN cholinergic receptor muscarinic 3 -7.55 -8.75 -9.05 28.00% CHEMBL2432039 Inactive 58.82%
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.21 -8.34 N/A 28.00% CHEMBL2432039 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -8.31 -8.54 -8.53 28.00% CHEMBL2432039 Active 62.76%
ACTHR_HUMAN melanocortin 2 receptor -9.72 -9.28 -8.02 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -7.17 -7.85 -7.68 11.11% CHEMBL533979 Inactive 82.28%
ADA2A_HUMAN adrenoceptor alpha 2A -7.53 -7.71 -5.17 20.00% CHEMBL334255 Inactive 62.19%
ADA2B_HUMAN adrenoceptor alpha 2B -9.18 -9.24 -8.65 20.00% CHEMBL334255 Inactive 63.27%
ADA2C_HUMAN adrenoceptor alpha 2C -3.92 -3.29 -3.50 28.00% CHEMBL2432039 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -8.24 -8.51 -8.32 7.06% CHEMBL236514 Inactive 75.19%
ADRB2_HUMAN adrenoceptor beta 2 -7.40 -8.69 -8.91 8.82% CHEMBL1332942 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -8.31 -8.97 -8.14 6.25% CHEMBL101591 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -7.82 -8.00 -7.89 4.12% CHEMBL376286 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -7.89 -8.17 -8.05 9.38% CHEMBL109172 Inactive 96.19%
CALCR_HUMAN calcitonin receptor -7.53 -7.36 -7.22 3.50% CHEMBL2369895 Inactive 98.82%
CCKAR_HUMAN cholecystokinin A receptor -7.80 -7.56 -8.43 6.31% CHEMBL258486 Inactive 99.08%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.55 -8.49 -7.13 9.52% CHEMBL33761 Inactive 97.10%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.41 -7.29 -7.11 9.72% CHEMBL494399 Inactive 98.54%
CCR4_HUMAN C-C motif chemokine receptor 4 -6.84 -6.94 -6.80 7.53% CHEMBL459465 Inactive 88.22%
CCR5_HUMAN C-C motif chemokine receptor 5 -7.33 -7.39 -7.13 10.00% CHEMBL321267 Inactive 99.80%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.39 -8.40 -8.33 6.82% CHEMBL22776 Inactive 95.19%
CNR1_HUMAN cannabinoid receptor 1 -8.08 -8.40 -9.28 13.33% CHEMBL483143 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -9.35 -9.21 N/A 27.27% CHEMBL3360190 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.60 N/A N/A 4.84% CHEMBL191413 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.31 -6.28 -6.18 5.08% CHEMBL4103634 Inactive 85.64%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -7.72 -7.82 -7.72 11.76% CHEMBL2205723 Inactive 99.04%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.41 -5.52 -6.93 9.80% CHEMBL2170299 N/A N/A
DRD1_HUMAN dopamine receptor D1 -8.70 -7.82 -8.42 11.11% CHEMBL21731 Inactive 74.13%
DRD2_HUMAN dopamine receptor D2 -9.18 N/A N/A 11.32% CHEMBL162762 N/A N/A
DRD3_HUMAN dopamine receptor D3 -7.53 N/A N/A 12.77% CHEMBL1123 N/A N/A
DRD4_HUMAN dopamine receptor D4 -7.90 -7.84 N/A 11.32% CHEMBL162762 N/A N/A
DRD5_HUMAN dopamine receptor D5 -8.42 -8.82 -8.00 11.11% CHEMBL21731 Inactive 78.53%
EDNRA_HUMAN endothelin receptor type A -6.57 -7.23 -7.00 6.76% CHEMBL286808 Inactive 82.37%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -6.00 -5.92 -4.85 5.88% CHEMBL2391908 Inactive 74.50%
GASR_HUMAN cholecystokinin B receptor -7.43 -7.85 -5.79 6.52% CHEMBL537171 Inactive 93.58%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.82 -9.40 -9.23 11.11% CHEMBL1270719 Inactive 76.92%
GRM2_HUMAN glutamate metabotropic receptor 2 -7.91 -8.64 -8.38 18.18% CHEMBL482081 Inactive 60.34%
GRM3_HUMAN glutamate metabotropic receptor 3 -11.10 -10.79 -10.87 16.67% CHEMBL2112586 Inactive 72.96%
GRM4_HUMAN glutamate metabotropic receptor 4 -5.64 -5.47 -5.74 8.82% CHEMBL578358 Inactive 95.76%
GRM5_HUMAN glutamate metabotropic receptor 5 -9.00 -8.86 -8.24 17.14% CHEMBL1783985 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -9.45 -9.12 -9.31 14.71% CHEMBL280563 Inactive 97.99%
GRM7_HUMAN glutamate metabotropic receptor 7 -8.31 -7.50 -7.66 6.82% CHEMBL432038 Inactive 100.00%
GRM8_HUMAN glutamate metabotropic receptor 8 -5.16 -5.42 -5.54 14.71% CHEMBL280563 Inactive 98.32%
HRH1_HUMAN histamine receptor H1 -10.06 N/A N/A 11.11% CHEMBL21731 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.53 -7.33 -7.56 11.11% CHEMBL21731 Active 74.05%
HRH3_HUMAN histamine receptor H3 -7.11 -7.22 -7.45 33.33% CHEMBL1190 Active 56.02%
HRH4_HUMAN histamine receptor H4 -8.16 -7.50 -8.09 12.77% CHEMBL1824228 Inactive 75.51%
MC3R_HUMAN melanocortin 3 receptor -8.44 -7.38 -7.04 8.57% CHEMBL407135 Inactive 82.96%
MC4R_HUMAN melanocortin 4 receptor -6.64 -6.60 -6.16 12.00% CHEMBL1499792 Inactive 97.37%
MC5R_HUMAN melanocortin 5 receptor -6.16 -8.43 -5.70 8.57% CHEMBL407135 Inactive 86.97%
MSHR_HUMAN melanocortin 1 receptor -7.87 -7.76 -8.35 6.19% CHEMBL1761872 Inactive 80.86%
NK1R_HUMAN tachykinin receptor 1 -7.66 -8.74 -8.06 10.34% CHEMBL143813 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -7.54 -7.55 -7.71 6.78% CHEMBL17157 Inactive 99.69%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.34 -7.01 -6.89 4.03% CHEMBL1940538 Inactive 97.20%
NPFF1_HUMAN neuropeptide FF receptor 1 -7.42 -6.91 -7.24 6.82% CHEMBL3360829 Inactive 96.45%
NPSR1_HUMAN neuropeptide S receptor 1 -7.83 -8.89 -7.42 5.66% CHEMBL1210242 Inactive 85.49%
NPY1R_HUMAN neuropeptide Y receptor Y1 -8.63 -8.62 -7.36 9.43% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.71 -7.22 -7.54 9.43% CHEMBL3559801 Inactive 99.59%
NPY4R_HUMAN neuropeptide Y receptor Y4 -7.11 -7.46 -7.14 9.43% CHEMBL3559801 Active 70.99%
NPY5R_HUMAN neuropeptide Y receptor Y5 -7.28 -7.43 -7.48 9.43% CHEMBL3559801 Inactive 99.07%
OPRD_HUMAN opioid receptor delta 1 -7.78 -6.42 -6.68 12.50% CHEMBL4082678 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -8.74 -8.81 -7.65 28.00% CHEMBL2432039 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -7.83 -6.32 -8.09 46.15% CHEMBL123693 Inactive 77.32%
OPRX_HUMAN opioid related nociceptin receptor 1 -6.86 -7.27 -7.32 12.24% CHEMBL53256 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -7.88 -8.92 -9.70 8.00% CHEMBL514432 Inactive 78.85%
TAAR1_HUMAN trace amine associated receptor 1 -8.81 -8.07 -8.36 14.00% CHEMBL1734759 Active 56.54%
TSHR_HUMAN thyroid stimulating hormone receptor -8.39 -8.59 -8.32 6.12% CHEMBL3908443 Inactive 98.25%
V1AR_HUMAN arginine vasopressin receptor 1A -7.09 -6.91 -8.25 8.57% CHEMBL1083095 Inactive 99.20%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -7.70 -7.86 -7.71 3.82% CHEMBL483749 N/A N/A