Aspirin #3 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 -6.12 -6.18 -6.41 44.87% CHEMBL1255003 Active 59.89%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -5.93 -6.16 -6.49 43.48% CHEMBL2112766 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -6.20 -6.31 -5.45 39.19% CHEMBL140416 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -6.27 -6.92 -5.87 22.52% CHEMBL2391541 Inactive 55.80%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -5.85 -6.30 -6.24 26.32% CHEMBL184994 Inactive 79.34%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -6.45 -6.45 N/A 43.42% CHEMBL272942 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.36 -6.53 -6.65 44.62% CHEMBL558 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -6.40 -6.78 N/A 43.42% CHEMBL272942 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -6.34 -6.44 -6.75 45.92% CHEMBL287045 Active 56.07%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -6.41 -6.16 -6.27 30.09% CHEMBL363678 Inactive 57.53%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -6.21 -6.21 -6.36 37.62% CHEMBL631 Inactive 69.63%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -6.32 -6.04 -5.98 42.47% CHEMBL20666 Inactive 54.77%
AA1R_HUMAN adenosine A1 receptor -5.58 -5.62 -6.41 32.77% CHEMBL2151131 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -5.99 -5.92 -6.00 32.79% CHEMBL197359 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -6.54 -6.40 -5.85 39.82% CHEMBL334325 Active 62.47%
AA3R_HUMAN adenosine A3 receptor -6.62 -6.49 -6.06 32.77% CHEMBL2151131 Inactive 52.82%
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.75 -6.89 N/A 40.26% CHEMBL4102555 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -6.79 -6.18 -6.52 43.82% CHEMBL1290634 Active 51.25%
ACM3_HUMAN cholinergic receptor muscarinic 3 -5.77 -6.94 -6.32 43.82% CHEMBL1290634 Inactive 60.35%
ACM4_HUMAN cholinergic receptor muscarinic 4 -6.68 -6.42 N/A 37.18% CHEMBL55 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -6.35 -6.36 -6.39 33.70% CHEMBL41 Inactive 64.96%
ACTHR_HUMAN melanocortin 2 receptor -6.96 -6.30 -6.16 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -6.07 -6.36 -5.88 44.87% CHEMBL1255003 Active 77.93%
ADA2A_HUMAN adrenoceptor alpha 2A -7.03 -7.00 -6.93 39.22% CHEMBL1956201 Active 78.69%
ADA2B_HUMAN adrenoceptor alpha 2B -6.86 -7.47 -6.97 39.22% CHEMBL1956201 Active 77.29%
ADA2C_HUMAN adrenoceptor alpha 2C -6.35 -6.47 -6.40 39.22% CHEMBL1956201 Active 70.27%
ADRB1_HUMAN adrenoceptor beta 1 -6.53 -6.14 -6.38 52.17% CHEMBL518168 Active 67.72%
ADRB2_HUMAN adrenoceptor beta 2 -6.71 -6.84 -6.72 46.59% CHEMBL1704973 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -6.91 -7.33 -6.87 53.93% CHEMBL271945 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -5.94 -6.11 -6.00 26.25% CHEMBL158557 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -6.71 -6.75 -6.41 28.57% CHEMBL1784685 Inactive 85.19%
CALCR_HUMAN calcitonin receptor -5.94 -5.23 -6.42 15.82% CHEMBL2369897 Inactive 52.72%
CCKAR_HUMAN cholecystokinin A receptor -5.69 -6.35 -5.91 28.57% CHEMBL1784685 Inactive 95.77%
CCR1_HUMAN C-C motif chemokine receptor 1 -5.93 -7.33 -5.89 41.03% CHEMBL391301 Inactive 98.29%
CCR2_HUMAN C-C motif chemokine receptor 2 -5.55 -5.81 -5.35 40.00% CHEMBL1171788 Inactive 94.49%
CCR4_HUMAN C-C motif chemokine receptor 4 -6.12 -5.61 -6.52 36.67% CHEMBL1618631 Inactive 79.31%
CCR5_HUMAN C-C motif chemokine receptor 5 -5.44 -5.59 -5.83 36.17% CHEMBL234461 Inactive 99.10%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -6.29 -6.77 -6.98 39.58% CHEMBL127842 Inactive 97.03%
CNR1_HUMAN cannabinoid receptor 1 -5.65 -6.37 -6.45 47.83% CHEMBL243334 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -6.25 -6.47 N/A 47.83% CHEMBL243334 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.85 N/A N/A 23.78% CHEMBL464302 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -6.91 -5.70 -5.27 34.45% CHEMBL3645131 Inactive 60.62%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -6.17 -6.25 -6.13 32.80% CHEMBL3952475 Inactive 98.88%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -6.56 -5.81 -5.82 30.00% CHEMBL126657 N/A N/A
DRD1_HUMAN dopamine receptor D1 -6.50 -6.45 -5.95 38.46% CHEMBL186720 Inactive 60.06%
DRD2_HUMAN dopamine receptor D2 -5.97 N/A N/A 40.26% CHEMBL128313 N/A N/A
DRD3_HUMAN dopamine receptor D3 -6.08 N/A N/A 39.24% CHEMBL334545 N/A N/A
DRD4_HUMAN dopamine receptor D4 -7.02 -6.67 N/A 42.86% CHEMBL59326 N/A N/A
DRD5_HUMAN dopamine receptor D5 -6.16 -7.04 -6.63 38.46% CHEMBL186720 Inactive 87.89%
EDNRA_HUMAN endothelin receptor type A -5.36 -5.71 -5.35 30.37% CHEMBL46311 Inactive 95.45%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -6.37 -6.78 -6.75 14.07% CHEMBL2391908 Inactive 91.22%
GASR_HUMAN cholecystokinin B receptor -6.03 -6.43 -5.76 24.14% CHEMBL294542 Inactive 94.44%
GRM1_HUMAN glutamate metabotropic receptor 1 -6.72 -6.87 -6.56 29.75% CHEMBL369459 Inactive 79.05%
GRM2_HUMAN glutamate metabotropic receptor 2 -7.16 -7.16 -7.43 39.81% CHEMBL3892611 Inactive 59.83%
GRM3_HUMAN glutamate metabotropic receptor 3 -7.54 -8.08 -7.66 30.77% CHEMBL4099470 Inactive 69.22%
GRM4_HUMAN glutamate metabotropic receptor 4 -5.34 -5.74 -5.37 29.66% CHEMBL3560922 Inactive 92.84%
GRM5_HUMAN glutamate metabotropic receptor 5 -6.61 -7.52 -7.37 51.65% CHEMBL1682821 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -7.04 -7.19 -6.88 20.59% CHEMBL566136 Inactive 97.67%
GRM7_HUMAN glutamate metabotropic receptor 7 -6.46 -6.16 -6.56 29.66% CHEMBL3560922 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -6.52 -6.34 -5.61 29.66% CHEMBL3560922 Inactive 98.02%
HRH1_HUMAN histamine receptor H1 -7.17 N/A N/A 38.46% CHEMBL2158833 N/A N/A
HRH2_HUMAN histamine receptor H2 -7.17 -6.28 -5.82 36.30% CHEMBL221462 Active 80.50%
HRH3_HUMAN histamine receptor H3 -5.97 -6.29 -6.40 45.12% CHEMBL544242 Active 81.81%
HRH4_HUMAN histamine receptor H4 -6.71 -6.39 -6.57 33.96% CHEMBL14638 Active 58.62%
MC3R_HUMAN melanocortin 3 receptor -6.22 -5.85 -5.57 22.78% CHEMBL392092 Inactive 64.68%
MC4R_HUMAN melanocortin 4 receptor -4.95 -4.86 -5.11 32.14% CHEMBL205461 Inactive 90.23%
MC5R_HUMAN melanocortin 5 receptor -5.33 -6.42 -5.56 28.47% CHEMBL3932950 Inactive 64.40%
MSHR_HUMAN melanocortin 1 receptor -5.92 -5.65 -5.69 22.29% CHEMBL13910 Inactive 84.13%
NK1R_HUMAN tachykinin receptor 1 -6.09 -6.16 -6.29 30.43% CHEMBL93909 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -6.00 -5.85 -6.18 46.25% CHEMBL4111499 Inactive 98.75%
NPBW1_HUMAN neuropeptides B and W receptor 1 -5.60 -5.89 -5.72 25.00% CHEMBL1706758 Inactive 93.46%
NPFF1_HUMAN neuropeptide FF receptor 1 -5.66 -5.27 -5.67 24.09% CHEMBL2208334 Inactive 62.95%
NPSR1_HUMAN neuropeptide S receptor 1 -6.38 -6.31 -6.86 19.83% CHEMBL3086828 Inactive 84.30%
NPY1R_HUMAN neuropeptide Y receptor Y1 -6.90 -6.99 -5.98 35.06% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -6.24 -5.83 -5.72 35.06% CHEMBL3559801 Active 54.76%
NPY4R_HUMAN neuropeptide Y receptor Y4 -6.15 -5.71 -5.87 35.06% CHEMBL3559801 Active 95.25%
NPY5R_HUMAN neuropeptide Y receptor Y5 -6.18 -6.25 -6.21 35.06% CHEMBL3559801 Inactive 87.19%
OPRD_HUMAN opioid receptor delta 1 -5.82 -4.82 -5.15 34.75% CHEMBL149074 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -5.96 -6.23 -6.36 37.36% CHEMBL942 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -6.59 -6.54 -6.61 34.75% CHEMBL149074 Inactive 94.32%
OPRX_HUMAN opioid related nociceptin receptor 1 -5.82 -5.74 -5.84 35.00% CHEMBL201805 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -6.31 -6.41 -6.66 28.00% CHEMBL297624 Inactive 81.10%
TAAR1_HUMAN trace amine associated receptor 1 -6.88 -6.62 -6.64 40.00% CHEMBL294703 Active 70.51%
TSHR_HUMAN thyroid stimulating hormone receptor -6.79 -6.64 -6.48 28.78% CHEMBL1331194 Inactive 91.92%
V1AR_HUMAN arginine vasopressin receptor 1A -6.47 -5.77 -6.16 34.43% CHEMBL3416859 Inactive 90.52%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -6.52 -6.23 -5.93 28.57% CHEMBL1784685 N/A N/A