Asprin #66 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 -4.15 -4.23 -4.29 13.43% CHEMBL161264 Inactive 99.99%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -4.43 -4.78 -4.60 8.05% CHEMBL191460 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -4.40 -4.00 -4.17 8.05% CHEMBL191460 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -4.50 -4.53 -4.82 6.92% CHEMBL22744 Active 55.22%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -4.35 -4.51 -4.34 6.42% CHEMBL187928 Inactive 85.63%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -4.86 -4.22 N/A 11.43% CHEMBL334255 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -4.54 -4.22 -4.43 21.95% CHEMBL547 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -4.26 -4.96 N/A 12.50% CHEMBL2260568 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -4.79 -4.71 -4.40 9.57% CHEMBL539652 Inactive 92.37%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -4.51 -4.43 -4.26 9.23% CHEMBL189262 Inactive 65.17%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -4.37 -4.06 -4.27 12.12% CHEMBL98511 Inactive 99.99%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -4.20 -4.61 -4.33 9.47% CHEMBL2158034 Inactive 99.99%
AA1R_HUMAN adenosine A1 receptor -4.55 -4.41 -4.65 24.32% CHEMBL3314905 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -4.50 -4.59 -4.34 24.32% CHEMBL3314905 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -4.33 -4.48 -4.11 6.82% CHEMBL217076 Inactive 99.99%
AA3R_HUMAN adenosine A3 receptor -4.80 -4.63 -4.15 24.32% CHEMBL3314905 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -4.69 -5.42 N/A 16.13% CHEMBL451821 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -4.73 -4.43 -4.68 37.04% CHEMBL1200623 Active 65.07%
ACM3_HUMAN cholinergic receptor muscarinic 3 -4.41 -4.55 -4.93 16.67% CHEMBL2432039 Inactive 92.68%
ACM4_HUMAN cholinergic receptor muscarinic 4 -4.75 -4.63 N/A 16.67% CHEMBL2432039 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -4.36 -4.40 -4.45 16.67% CHEMBL2432039 Inactive 80.04%
ACTHR_HUMAN melanocortin 2 receptor -5.93 -5.55 -4.46 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -4.14 -4.39 -4.55 9.46% CHEMBL516 Inactive 99.99%
ADA2A_HUMAN adrenoceptor alpha 2A -4.71 -4.67 -4.65 23.26% CHEMBL191703 Inactive 71.79%
ADA2B_HUMAN adrenoceptor alpha 2B -4.86 -4.80 -4.93 11.43% CHEMBL334255 Active 59.89%
ADA2C_HUMAN adrenoceptor alpha 2C -4.90 -4.69 -4.75 23.26% CHEMBL191703 Inactive 58.66%
ADRB1_HUMAN adrenoceptor beta 1 -4.49 -4.39 -4.17 8.33% CHEMBL1083669 Inactive 99.99%
ADRB2_HUMAN adrenoceptor beta 2 -4.71 -4.74 -4.75 8.70% CHEMBL1569630 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -4.56 -4.78 -4.63 7.03% CHEMBL4065251 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -5.26 -5.26 -5.26 6.12% CHEMBL376286 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -4.78 -4.89 -5.12 6.25% CHEMBL121565 Inactive 95.88%
CALCR_HUMAN calcitonin receptor -4.19 -4.52 -4.41 2.72% CHEMBL2369895 Inactive 99.99%
CCKAR_HUMAN cholecystokinin A receptor -4.55 -4.58 -5.14 5.77% CHEMBL206025 Inactive 95.04%
CCR1_HUMAN C-C motif chemokine receptor 1 -4.67 -5.01 -4.04 10.42% CHEMBL3138187 Inactive 99.99%
CCR2_HUMAN C-C motif chemokine receptor 2 -4.39 -4.26 -4.44 12.33% CHEMBL3753178 Inactive 91.27%
CCR4_HUMAN C-C motif chemokine receptor 4 -3.90 -4.16 -4.81 10.34% CHEMBL1621896 Inactive 99.99%
CCR5_HUMAN C-C motif chemokine receptor 5 -5.30 -4.96 -4.75 11.11% CHEMBL468150 Inactive 99.63%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -5.28 -5.22 -5.32 8.04% CHEMBL285954 Inactive 98.33%
CNR1_HUMAN cannabinoid receptor 1 -4.26 -4.87 -5.21 21.95% CHEMBL146346 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -5.05 -4.92 N/A 40.91% CHEMBL3360190 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -4.52 N/A N/A 5.88% CHEMBL218964 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -4.92 -3.84 -3.76 9.35% CHEMBL3645131 Inactive 99.99%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -4.74 -4.62 -4.63 12.86% CHEMBL2205704 Inactive 99.20%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -4.88 -3.84 -4.53 11.32% CHEMBL2170299 N/A N/A
DRD1_HUMAN dopamine receptor D1 -4.36 -3.97 -4.16 9.46% CHEMBL516 Inactive 99.99%
DRD2_HUMAN dopamine receptor D2 -4.81 N/A N/A 16.98% CHEMBL162762 N/A N/A
DRD3_HUMAN dopamine receptor D3 -4.54 N/A N/A 16.98% CHEMBL162762 N/A N/A
DRD4_HUMAN dopamine receptor D4 -4.46 -4.56 N/A 16.98% CHEMBL162762 N/A N/A
DRD5_HUMAN dopamine receptor D5 -4.65 -4.69 -4.58 8.42% CHEMBL487387 Inactive 82.29%
EDNRA_HUMAN endothelin receptor type A -4.58 -4.93 -4.99 6.72% CHEMBL323951 Inactive 95.97%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -4.74 -4.68 -5.98 5.71% CHEMBL2391908 Inactive 88.80%
GASR_HUMAN cholecystokinin B receptor -4.47 -4.72 -4.02 7.00% CHEMBL30844 Inactive 99.99%
GRM1_HUMAN glutamate metabotropic receptor 1 -4.63 -4.92 -4.65 21.62% CHEMBL38499 Inactive 97.17%
GRM2_HUMAN glutamate metabotropic receptor 2 -5.19 -5.46 -5.12 21.62% CHEMBL38499 Inactive 78.19%
GRM3_HUMAN glutamate metabotropic receptor 3 -5.25 -5.39 -5.18 20.41% CHEMBL2381641 Active 62.00%
GRM4_HUMAN glutamate metabotropic receptor 4 -4.59 -4.53 -4.78 7.46% CHEMBL1921961 Inactive 97.96%
GRM5_HUMAN glutamate metabotropic receptor 5 -4.75 -5.84 -5.77 12.20% CHEMBL90501 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -4.89 -4.90 -4.91 20.41% CHEMBL2381641 Inactive 95.89%
GRM7_HUMAN glutamate metabotropic receptor 7 -4.56 -4.34 -4.77 4.30% CHEMBL432038 Inactive 99.96%
GRM8_HUMAN glutamate metabotropic receptor 8 -4.67 -4.69 -4.53 12.50% CHEMBL575060 Inactive 84.12%
HRH1_HUMAN histamine receptor H1 -5.40 N/A N/A 12.82% CHEMBL1101 N/A N/A
HRH2_HUMAN histamine receptor H2 -5.06 -4.45 -4.98 9.46% CHEMBL516 Active 82.38%
HRH3_HUMAN histamine receptor H3 -4.93 -4.12 -4.11 23.26% CHEMBL191703 Inactive 99.99%
HRH4_HUMAN histamine receptor H4 -4.44 -4.39 -4.10 11.32% CHEMBL1934049 Inactive 99.99%
MC3R_HUMAN melanocortin 3 receptor -5.30 -4.83 -4.95 7.78% CHEMBL462044 Inactive 75.39%
MC4R_HUMAN melanocortin 4 receptor -3.65 -3.48 -4.43 10.96% CHEMBL1699592 Inactive 99.99%
MC5R_HUMAN melanocortin 5 receptor -3.82 -4.83 -3.87 10.11% CHEMBL3919869 Inactive 99.99%
MSHR_HUMAN melanocortin 1 receptor -4.70 -4.28 -4.77 8.33% CHEMBL267020 Inactive 84.03%
NK1R_HUMAN tachykinin receptor 1 -4.36 -4.35 -4.00 12.50% CHEMBL423597 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -4.27 -4.71 -4.35 8.40% CHEMBL1683153 Inactive 99.70%
NPBW1_HUMAN neuropeptides B and W receptor 1 -4.61 -4.10 -3.93 4.47% CHEMBL1940536 Inactive 99.99%
NPFF1_HUMAN neuropeptide FF receptor 1 -4.36 -3.90 -4.28 7.14% CHEMBL3361417 Inactive 99.99%
NPSR1_HUMAN neuropeptide S receptor 1 -4.38 -4.73 -4.84 6.67% CHEMBL3086828 Inactive 86.25%
NPY1R_HUMAN neuropeptide Y receptor Y1 -4.60 -4.89 -4.22 9.28% CHEMBL549377 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -4.41 -4.09 -4.04 7.02% CHEMBL3559801 Inactive 99.99%
NPY4R_HUMAN neuropeptide Y receptor Y4 -4.68 -3.98 -3.77 7.02% CHEMBL3559801 Inactive 99.99%
NPY5R_HUMAN neuropeptide Y receptor Y5 -4.06 -4.00 -4.04 8.06% CHEMBL469173 Inactive 99.99%
OPRD_HUMAN opioid receptor delta 1 -4.60 -3.95 -3.89 11.84% CHEMBL218242 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -4.78 -4.71 -4.90 16.67% CHEMBL2432039 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -4.74 -4.07 -4.40 22.22% CHEMBL123693 Inactive 99.99%
OPRX_HUMAN opioid related nociceptin receptor 1 -3.94 -3.99 -4.02 11.11% CHEMBL228857 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -4.58 -4.88 -5.21 11.69% CHEMBL371569 Inactive 93.93%
TAAR1_HUMAN trace amine associated receptor 1 -4.51 -4.30 -4.17 13.64% CHEMBL1429767 Inactive 99.99%
TSHR_HUMAN thyroid stimulating hormone receptor -4.86 -4.46 -4.89 6.94% CHEMBL3897841 Inactive 91.71%
V1AR_HUMAN arginine vasopressin receptor 1A -4.84 -4.25 -4.28 8.42% CHEMBL1083254 Inactive 99.99%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -4.82 -4.41 -4.61 4.17% CHEMBL484952 N/A N/A