1 #585 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 -1.99 -1.49 -1.78 1.54% CHEMBL286006 Inactive 99.99%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -1.96 -1.93 -2.05 1.28% CHEMBL3752900 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -1.87 -1.77 -2.18 1.47% CHEMBL3752576 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -1.92 -2.09 -2.22 1.47% CHEMBL3752576 Inactive 99.99%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -1.91 -2.34 -1.92 1.14% CHEMBL125745 Inactive 99.99%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -2.20 -1.81 N/A 2.08% CHEMBL454288 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -1.56 -1.86 -1.74 2.50% CHEMBL547 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -2.13 -2.10 N/A 1.75% CHEMBL202324 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -2.12 -1.91 -1.89 1.18% CHEMBL86 Inactive 99.99%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -2.20 -2.20 -1.67 1.06% CHEMBL188486 Inactive 99.99%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -1.57 -1.84 -1.90 1.64% CHEMBL193376 Inactive 99.99%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -2.01 -1.96 -1.90 1.41% CHEMBL516 Inactive 99.99%
AA1R_HUMAN adenosine A1 receptor -2.21 -1.67 -1.74 2.78% CHEMBL3314905 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -1.87 -1.84 -1.63 2.78% CHEMBL3314905 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -2.02 -1.89 -1.94 1.27% CHEMBL66899 Inactive 99.99%
AA3R_HUMAN adenosine A3 receptor -1.82 -2.03 -1.78 2.78% CHEMBL3314905 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -1.85 -2.07 N/A 1.82% CHEMBL151938 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -2.01 -1.88 -1.84 3.70% CHEMBL1200623 Inactive 99.99%
ACM3_HUMAN cholinergic receptor muscarinic 3 -2.07 -1.90 -2.14 1.82% CHEMBL268808 Inactive 99.99%
ACM4_HUMAN cholinergic receptor muscarinic 4 -1.82 -1.85 N/A 1.72% CHEMBL27673 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -2.09 -2.11 -1.92 1.72% CHEMBL27673 Inactive 99.99%
ACTHR_HUMAN melanocortin 2 receptor -2.51 -2.42 -2.32 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -1.96 -2.05 -2.37 1.64% CHEMBL43064 Inactive 99.99%
ADA2A_HUMAN adrenoceptor alpha 2A -1.87 -1.75 -1.80 2.33% CHEMBL191703 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -1.87 -1.91 -1.94 1.49% CHEMBL196 Inactive 99.99%
ADA2C_HUMAN adrenoceptor alpha 2C -2.01 -2.06 -1.94 2.33% CHEMBL191703 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -2.12 -1.63 -1.70 1.69% CHEMBL1621144 Inactive 99.99%
ADRB2_HUMAN adrenoceptor beta 2 -1.80 -1.95 -1.82 1.69% CHEMBL1621144 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -1.99 -1.87 -2.03 1.05% CHEMBL1200811 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -2.30 -2.35 -2.34 0.57% CHEMBL385714 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -1.89 -2.00 -2.11 0.79% CHEMBL1162797 Inactive 99.99%
CALCR_HUMAN calcitonin receptor -1.93 -2.02 -1.98 0.00% CHEMBL4473161 Inactive 99.99%
CCKAR_HUMAN cholecystokinin A receptor -2.12 -1.88 -1.84 0.57% CHEMBL479063 Inactive 99.99%
CCR1_HUMAN C-C motif chemokine receptor 1 -1.72 -1.90 -1.97 1.05% CHEMBL33104 Inactive 99.99%
CCR2_HUMAN C-C motif chemokine receptor 2 -2.00 -2.03 -2.01 1.39% CHEMBL3753178 Inactive 99.99%
CCR4_HUMAN C-C motif chemokine receptor 4 -1.72 -1.57 -1.97 1.43% CHEMBL1618631 Inactive 99.99%
CCR5_HUMAN C-C motif chemokine receptor 5 -2.23 -2.18 -2.16 1.33% CHEMBL234461 Inactive 99.99%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -2.08 -1.91 -2.19 0.93% CHEMBL11793 Inactive 99.99%
CNR1_HUMAN cannabinoid receptor 1 -2.03 -2.10 -2.21 2.50% CHEMBL146346 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -1.92 -1.87 N/A 4.76% CHEMBL3360190 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -2.04 N/A N/A 0.81% CHEMBL464302 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -2.12 -1.77 -1.78 1.15% CHEMBL535818 Inactive 99.99%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -1.87 -1.66 -1.74 1.45% CHEMBL2205705 Inactive 99.99%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -2.17 -1.54 -1.80 1.67% CHEMBL4539571 N/A N/A
DRD1_HUMAN dopamine receptor D1 -2.06 -1.63 -1.92 1.59% CHEMBL534678 Inactive 99.99%
DRD2_HUMAN dopamine receptor D2 -2.17 N/A N/A 1.92% CHEMBL162762 N/A N/A
DRD3_HUMAN dopamine receptor D3 -1.81 N/A N/A 1.92% CHEMBL162762 N/A N/A
DRD4_HUMAN dopamine receptor D4 -1.76 -2.04 N/A 1.92% CHEMBL162762 N/A N/A
DRD5_HUMAN dopamine receptor D5 -2.13 -2.65 -1.90 1.47% CHEMBL629 Inactive 99.99%
EDNRA_HUMAN endothelin receptor type A -2.01 -2.06 -2.05 0.93% CHEMBL430572 Inactive 99.99%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -1.86 -2.02 -2.29 0.00% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -2.27 -2.01 -1.59 0.72% CHEMBL2112752 Inactive 99.99%
GRM1_HUMAN glutamate metabotropic receptor 1 -1.89 -1.99 -1.95 2.86% CHEMBL38499 Inactive 99.99%
GRM2_HUMAN glutamate metabotropic receptor 2 -1.95 -2.05 -1.99 2.86% CHEMBL38499 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -1.96 -1.97 -1.93 2.04% CHEMBL2381641 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 -2.17 -2.01 -2.14 1.35% CHEMBL1209438 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -2.06 -2.34 -2.34 1.79% CHEMBL88612 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -1.99 -2.02 -2.04 2.04% CHEMBL2381641 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 -1.84 -1.97 -1.83 0.70% CHEMBL4168668 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -1.89 -1.86 -1.99 0.63% CHEMBL4446107 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -2.27 N/A N/A 1.72% CHEMBL3983211 N/A N/A
HRH2_HUMAN histamine receptor H2 -2.20 -2.35 -1.84 1.47% CHEMBL629 Inactive 99.99%
HRH3_HUMAN histamine receptor H3 -2.12 -1.75 -1.79 2.33% CHEMBL191703 Inactive 99.99%
HRH4_HUMAN histamine receptor H4 -2.03 -2.04 -1.92 1.72% CHEMBL1162347 Inactive 99.99%
MC3R_HUMAN melanocortin 3 receptor -2.19 -1.93 -1.88 1.15% CHEMBL462044 Inactive 99.99%
MC4R_HUMAN melanocortin 4 receptor -1.84 -1.80 -1.84 1.52% CHEMBL371105 Inactive 99.99%
MC5R_HUMAN melanocortin 5 receptor -1.63 -2.06 -2.41 1.14% CHEMBL3919869 Inactive 99.99%
MSHR_HUMAN melanocortin 1 receptor -2.45 -1.89 -2.82 0.74% CHEMBL185868 Inactive 99.99%
NK1R_HUMAN tachykinin receptor 1 -2.04 -1.85 -1.74 1.41% CHEMBL423597 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -1.99 -2.02 -2.05 1.33% CHEMBL64894 Inactive 99.99%
NPBW1_HUMAN neuropeptides B and W receptor 1 -1.73 -1.73 -1.70 0.74% CHEMBL2314324 Inactive 99.99%
NPFF1_HUMAN neuropeptide FF receptor 1 -1.68 -1.62 -2.14 0.89% CHEMBL2208303 Inactive 99.99%
NPSR1_HUMAN neuropeptide S receptor 1 -2.20 -2.17 -1.92 0.66% CHEMBL1801359 Inactive 99.99%
NPY1R_HUMAN neuropeptide Y receptor Y1 -1.92 -2.34 -2.01 1.04% CHEMBL549377 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -2.02 -1.67 -1.78 0.98% CHEMBL560117 Inactive 99.99%
NPY4R_HUMAN neuropeptide Y receptor Y4 -1.97 -1.63 -1.71 0.91% CHEMBL4559081 Inactive 99.99%
NPY5R_HUMAN neuropeptide Y receptor Y5 -1.68 -2.07 -1.79 0.88% CHEMBL3084889 Inactive 99.99%
OPRD_HUMAN opioid receptor delta 1 -1.89 -1.70 -1.91 2.17% CHEMBL4078930 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -2.00 -1.95 -2.17 2.17% CHEMBL4078930 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -2.00 -1.54 -2.10 2.17% CHEMBL4078930 Inactive 99.99%
OPRX_HUMAN opioid related nociceptin receptor 1 -1.87 -1.92 -1.94 1.25% CHEMBL228857 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -2.02 -1.97 -1.94 1.32% CHEMBL371569 Inactive 99.99%
TAAR1_HUMAN trace amine associated receptor 1 -2.11 -1.84 -2.13 3.70% CHEMBL406341 Inactive 99.99%
TSHR_HUMAN thyroid stimulating hormone receptor -1.96 -1.87 -2.00 0.74% CHEMBL1515891 Inactive 99.99%
V1AR_HUMAN arginine vasopressin receptor 1A -1.59 -2.06 -1.93 1.08% CHEMBL1083254 Inactive 99.99%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -1.95 -2.08 -1.91 0.00% CHEMBL3736230 N/A N/A