ticagrelor_Y #44 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 -8.35 -8.40 -8.39 31.91% CHEMBL50903 Inactive 68.91%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.73 -8.74 -9.14 33.04% CHEMBL4064865 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -9.39 -8.69 -9.06 31.30% CHEMBL329207 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -9.12 -8.10 -8.48 25.55% CHEMBL103479 Inactive 75.36%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -9.53 -9.33 -8.91 28.83% CHEMBL319920 Inactive 72.56%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.34 -8.86 N/A 33.05% CHEMBL297302 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -9.29 -9.78 -10.03 43.85% CHEMBL3956531 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.93 -9.16 N/A 43.85% CHEMBL3956531 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -9.01 -8.86 -8.49 30.27% CHEMBL2179582 Inactive 74.75%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.70 -7.95 -7.78 35.00% CHEMBL3938006 Inactive 66.47%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.89 -8.61 -8.36 38.36% CHEMBL1170890 Active 75.16%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.96 -9.41 -9.64 31.39% CHEMBL182680 Inactive 51.24%
AA1R_HUMAN adenosine A1 receptor -8.83 -9.05 -8.02 51.46% CHEMBL193421 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -8.46 -8.74 -8.45 52.40% CHEMBL458346 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -9.14 -9.08 -9.15 43.57% CHEMBL400189 Active 71.37%
AA3R_HUMAN adenosine A3 receptor -4.36 -1.67 -7.52 51.46% CHEMBL193421 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.35 0.57 N/A 34.44% CHEMBL4096143 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -9.77 -8.65 -7.46 34.44% CHEMBL4096143 Inactive 56.52%
ACM3_HUMAN cholinergic receptor muscarinic 3 -9.21 -10.43 -8.84 34.44% CHEMBL4096143 Inactive 59.11%
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.10 -8.59 N/A 35.34% CHEMBL4094531 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -8.98 -9.27 -10.47 34.44% CHEMBL4096143 Active 67.73%
ACTHR_HUMAN melanocortin 2 receptor -10.25 -9.31 -9.06 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.79 -7.59 -8.64 30.04% CHEMBL511211 Inactive 67.18%
ADA2A_HUMAN adrenoceptor alpha 2A -0.60 2.60 4.51 30.88% CHEMBL1306 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -9.74 -8.12 -8.14 28.09% CHEMBL420060 Active 54.61%
ADA2C_HUMAN adrenoceptor alpha 2C 2.90 8.18 3.50 30.88% CHEMBL1306 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.25 -8.62 -8.81 30.88% CHEMBL515349 Inactive 68.36%
ADRB2_HUMAN adrenoceptor beta 2 -8.48 -8.37 -10.01 36.11% CHEMBL1325250 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.26 -9.54 -9.05 30.88% CHEMBL515349 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -8.50 -8.48 -8.34 31.23% CHEMBL288705 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -9.46 -9.78 -8.97 28.71% CHEMBL413386 Inactive 76.47%
CALCR_HUMAN calcitonin receptor -7.90 -8.42 -8.38 25.16% CHEMBL2369905 Inactive 98.60%
CCKAR_HUMAN cholecystokinin A receptor -8.48 -9.09 -8.61 28.38% CHEMBL327656 Inactive 77.49%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.64 -8.97 -8.53 27.60% CHEMBL308473 Inactive 74.60%
CCR2_HUMAN C-C motif chemokine receptor 2 -8.64 -7.55 -7.39 32.58% CHEMBL2338390 Inactive 69.22%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.94 -7.79 -8.54 36.22% CHEMBL499852 Inactive 66.21%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.37 -8.61 -8.05 36.71% CHEMBL342842 Inactive 92.42%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.35 -9.46 -9.25 28.47% CHEMBL3401686 Inactive 84.08%
CNR1_HUMAN cannabinoid receptor 1 -8.26 -9.19 -8.85 37.40% CHEMBL3353834 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -8.92 -9.41 N/A 40.15% CHEMBL3092887 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -0.46 N/A N/A 25.95% CHEMBL3906175 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.77 -8.34 -8.16 43.78% CHEMBL257025 Active 70.43%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -9.06 -9.06 -9.03 34.66% CHEMBL570919 Inactive 85.16%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.35 -7.15 -8.02 29.63% CHEMBL3923006 N/A N/A
DRD1_HUMAN dopamine receptor D1 -9.32 -8.79 -8.75 31.18% CHEMBL3099235 Inactive 56.81%
DRD2_HUMAN dopamine receptor D2 -8.00 N/A N/A 35.91% CHEMBL1258949 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.58 N/A N/A 35.91% CHEMBL1258949 N/A N/A
DRD4_HUMAN dopamine receptor D4 -9.71 -10.25 N/A 35.14% CHEMBL3318851 N/A N/A
DRD5_HUMAN dopamine receptor D5 -8.54 -9.07 -8.54 26.64% CHEMBL3577346 Inactive 50.98%
EDNRA_HUMAN endothelin receptor type A -8.15 -7.91 -8.04 30.16% CHEMBL2163697 Inactive 66.94%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 9.69 3.37 28.32 30.90% CHEMBL392394 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.59 -8.99 -7.43 30.32% CHEMBL2153191 Inactive 75.91%
GRM1_HUMAN glutamate metabotropic receptor 1 -9.59 -8.44 -5.50 37.94% CHEMBL3786530 Inactive 50.15%
GRM2_HUMAN glutamate metabotropic receptor 2 6.82 6.22 8.34 33.69% CHEMBL2206444 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 0.70 1.42 -2.19 30.69% CHEMBL3948272 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 5.82 5.94 6.30 29.06% CHEMBL4090015 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -6.92 -4.14 -3.02 34.30% CHEMBL4072424 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -2.46 -4.63 -0.10 24.56% CHEMBL1585091 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 1.36 1.98 -2.73 28.94% CHEMBL3561038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 6.93 6.98 7.83 28.94% CHEMBL3561038 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -7.84 N/A N/A 34.81% CHEMBL96141 N/A N/A
HRH2_HUMAN histamine receptor H2 -10.22 -8.77 -9.31 27.80% CHEMBL199824 Active 84.22%
HRH3_HUMAN histamine receptor H3 -8.38 -8.75 -8.90 30.15% CHEMBL2441082 Inactive 58.73%
HRH4_HUMAN histamine receptor H4 -9.06 -8.66 -8.52 32.16% CHEMBL1915533 Inactive 69.17%
MC3R_HUMAN melanocortin 3 receptor -8.92 -8.51 -8.10 34.68% CHEMBL1089483 Inactive 64.43%
MC4R_HUMAN melanocortin 4 receptor -6.84 -7.17 -8.55 34.68% CHEMBL1089483 Inactive 51.43%
MC5R_HUMAN melanocortin 5 receptor -6.94 -8.51 -5.63 30.06% CHEMBL2113039 Inactive 90.46%
MSHR_HUMAN melanocortin 1 receptor -8.31 -7.71 -9.45 30.77% CHEMBL2113043 Inactive 62.78%
NK1R_HUMAN tachykinin receptor 1 -9.29 -8.38 -8.13 34.26% CHEMBL214472 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.66 -8.72 -8.93 32.92% CHEMBL3360201 Inactive 93.72%
NPBW1_HUMAN neuropeptides B and W receptor 1 -8.83 -7.98 -8.91 26.05% CHEMBL1968640 Inactive 81.28%
NPFF1_HUMAN neuropeptide FF receptor 1 -8.37 -8.03 -8.08 24.73% CHEMBL2208301 Inactive 68.08%
NPSR1_HUMAN neuropeptide S receptor 1 -8.69 -10.07 -9.61 33.33% CHEMBL1800088 Inactive 53.00%
NPY1R_HUMAN neuropeptide Y receptor Y1 -10.06 -8.76 -8.39 32.84% CHEMBL347807 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -8.78 -8.27 -8.60 30.32% CHEMBL3104112 Inactive 93.61%
NPY4R_HUMAN neuropeptide Y receptor Y4 -9.09 -9.79 -9.03 27.04% CHEMBL3099722 Inactive 98.46%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.31 -7.88 -7.96 34.63% CHEMBL595790 Inactive 82.51%
OPRD_HUMAN opioid receptor delta 1 -7.99 -7.37 -7.61 32.54% CHEMBL463518 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.99 -8.51 -9.01 41.25% CHEMBL95302 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.95 -8.26 -8.48 36.30% CHEMBL572393 Inactive 73.52%
OPRX_HUMAN opioid related nociceptin receptor 1 -8.50 -7.93 -8.19 41.25% CHEMBL95302 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -7.80 -8.22 -8.18 32.02% CHEMBL37358 Inactive 65.84%
TAAR1_HUMAN trace amine associated receptor 1 -8.80 -8.84 -9.33 54.81% CHEMBL1466922 Active 60.50%
TSHR_HUMAN thyroid stimulating hormone receptor -9.25 -9.90 -8.65 26.67% CHEMBL1718442 Inactive 96.59%
V1AR_HUMAN arginine vasopressin receptor 1A -8.55 -9.02 -8.99 30.54% CHEMBL592732 Inactive 82.32%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -8.84 -9.37 -8.71 27.44% CHEMBL3736134 N/A N/A