Xanax #59 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 -8.91 -7.78 -9.22 33.17% CHEMBL2419440 Inactive 74.35%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.86 -9.30 -9.92 33.17% CHEMBL2419440 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -9.08 -9.03 -8.68 30.11% CHEMBL272781 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -9.13 -8.18 -9.34 25.93% CHEMBL3139682 Inactive 71.31%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -8.80 -9.04 -9.08 26.17% CHEMBL126340 Inactive 69.45%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.50 -9.67 N/A 33.17% CHEMBL2419440 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.61 -8.52 -8.55 30.65% CHEMBL3601563 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -9.08 -10.87 N/A 33.69% CHEMBL338115 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -10.04 -9.56 -9.20 29.02% CHEMBL3910849 Inactive 66.01%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -7.79 -7.97 -8.14 33.91% CHEMBL295234 Inactive 65.41%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.19 -7.73 -9.02 29.94% CHEMBL4104479 Inactive 61.43%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -9.76 -9.45 -9.64 35.20% CHEMBL240888 Active 53.35%
AA1R_HUMAN adenosine A1 receptor -9.46 -8.97 -8.80 33.85% CHEMBL3317566 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -9.20 -9.96 -10.08 33.15% CHEMBL170215 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -9.13 -9.53 -8.77 30.89% CHEMBL2322918 Inactive 50.60%
AA3R_HUMAN adenosine A3 receptor -6.25 -8.14 -7.56 40.00% CHEMBL12 Active 63.93%
ACM1_HUMAN cholinergic receptor muscarinic 1 -10.33 -2.38 N/A 30.63% CHEMBL1201353 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -9.77 -8.56 -10.53 28.96% CHEMBL520349 Inactive 67.25%
ACM3_HUMAN cholinergic receptor muscarinic 3 -9.60 -9.40 -9.11 30.63% CHEMBL1201353 Inactive 61.19%
ACM4_HUMAN cholinergic receptor muscarinic 4 -10.10 -8.77 N/A 30.63% CHEMBL1201353 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -9.24 -9.42 -9.31 30.63% CHEMBL1201353 Active 54.73%
ACTHR_HUMAN melanocortin 2 receptor -9.08 -8.77 -9.17 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.97 -9.85 -9.27 28.78% CHEMBL1113 Inactive 67.26%
ADA2A_HUMAN adrenoceptor alpha 2A -4.70 -6.70 -5.28 29.15% CHEMBL315772 Active 59.81%
ADA2B_HUMAN adrenoceptor alpha 2B -11.33 -10.10 -6.90 28.78% CHEMBL1113 Inactive 67.21%
ADA2C_HUMAN adrenoceptor alpha 2C 1.03 2.99 0.89 29.15% CHEMBL315772 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -8.94 -9.17 -10.12 28.96% CHEMBL520349 Inactive 61.15%
ADRB2_HUMAN adrenoceptor beta 2 -8.94 -8.92 -9.04 33.91% CHEMBL295234 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.74 -9.71 -9.67 29.15% CHEMBL315772 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -9.27 -9.79 -9.54 29.44% CHEMBL288705 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -8.65 -10.20 -9.57 29.54% CHEMBL282562 Inactive 63.97%
CALCR_HUMAN calcitonin receptor -7.99 -9.16 -8.42 16.04% CHEMBL2369907 Inactive 98.92%
CCKAR_HUMAN cholecystokinin A receptor -9.54 -8.90 -9.89 33.49% CHEMBL9506 Inactive 62.74%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.89 -8.58 -8.56 31.88% CHEMBL142925 Inactive 71.44%
CCR2_HUMAN C-C motif chemokine receptor 2 -8.13 -8.23 -7.62 27.78% CHEMBL2207085 Inactive 81.32%
CCR4_HUMAN C-C motif chemokine receptor 4 -8.27 -7.44 -8.70 27.78% CHEMBL2207085 Inactive 72.86%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.62 -9.28 -8.76 28.36% CHEMBL3219780 Inactive 89.33%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.89 -9.04 -9.41 28.14% CHEMBL11905 Inactive 75.72%
CNR1_HUMAN cannabinoid receptor 1 -7.80 -9.84 -9.91 35.19% CHEMBL274983 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -9.85 -10.76 N/A 34.95% CHEMBL1760930 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.73 N/A N/A 27.67% CHEMBL139 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -9.60 -7.91 -7.94 29.72% CHEMBL3104900 Inactive 73.27%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -9.40 -9.54 -9.64 26.67% CHEMBL1086280 Inactive 80.19%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.68 -7.74 -8.64 26.74% CHEMBL1682997 N/A N/A
DRD1_HUMAN dopamine receptor D1 -8.94 -9.09 -8.88 29.29% CHEMBL385295 Inactive 51.30%
DRD2_HUMAN dopamine receptor D2 -8.42 N/A N/A 33.17% CHEMBL2419440 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.88 N/A N/A 29.15% CHEMBL315772 N/A N/A
DRD4_HUMAN dopamine receptor D4 -8.62 -8.51 N/A 30.34% CHEMBL303519 N/A N/A
DRD5_HUMAN dopamine receptor D5 -10.49 -10.87 -8.02 27.17% CHEMBL245570 Inactive 61.03%
EDNRA_HUMAN endothelin receptor type A -8.27 -8.35 -8.47 41.52% CHEMBL96614 Active 63.96%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 4.59 2.78 5.43 20.00% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -9.98 -8.62 -7.27 68.48% CHEMBL298705 Active 91.08%
GRM1_HUMAN glutamate metabotropic receptor 1 -8.13 -8.10 -6.37 31.55% CHEMBL246611 Inactive 66.20%
GRM2_HUMAN glutamate metabotropic receptor 2 2.63 0.14 2.81 32.18% CHEMBL3883827 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -4.23 -5.57 -7.37 28.51% CHEMBL3885379 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 -0.19 -0.22 -0.79 29.80% CHEMBL3901929 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -7.54 -4.24 -5.38 31.18% CHEMBL390802 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -5.52 -6.27 -6.03 19.23% CHEMBL1585091 Inactive 92.65%
GRM7_HUMAN glutamate metabotropic receptor 7 -4.25 -4.23 -2.73 24.07% CHEMBL3560922 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -0.13 0.63 -0.44 24.07% CHEMBL3560922 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -10.30 N/A N/A 39.25% CHEMBL451 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.80 -9.26 -8.25 28.96% CHEMBL520349 Active 94.34%
HRH3_HUMAN histamine receptor H3 -7.02 -8.98 -8.67 31.74% CHEMBL3238444 Inactive 65.02%
HRH4_HUMAN histamine receptor H4 -9.65 -8.94 -9.07 30.00% CHEMBL4082297 Inactive 75.61%
MC3R_HUMAN melanocortin 3 receptor -8.53 -8.10 -7.71 28.96% CHEMBL520349 Inactive 75.35%
MC4R_HUMAN melanocortin 4 receptor -7.29 -7.77 -7.09 36.55% CHEMBL1891068 Inactive 90.26%
MC5R_HUMAN melanocortin 5 receptor -7.48 -8.80 -5.57 28.96% CHEMBL520349 Inactive 95.86%
MSHR_HUMAN melanocortin 1 receptor -8.64 -9.91 -9.80 24.88% CHEMBL184275 Active 54.51%
NK1R_HUMAN tachykinin receptor 1 -8.36 -8.89 -8.40 38.89% CHEMBL357303 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.52 -8.76 -8.81 30.00% CHEMBL52330 Inactive 96.38%
NPBW1_HUMAN neuropeptides B and W receptor 1 -8.24 -8.20 -8.42 25.63% CHEMBL1979187 Inactive 90.78%
NPFF1_HUMAN neuropeptide FF receptor 1 -8.94 -8.58 -8.93 27.27% CHEMBL575058 Inactive 80.18%
NPSR1_HUMAN neuropeptide S receptor 1 -9.30 -9.87 -8.79 25.51% CHEMBL1801319 Inactive 65.76%
NPY1R_HUMAN neuropeptide Y receptor Y1 -10.32 -9.41 -9.40 29.63% CHEMBL3746492 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -9.14 -8.82 -8.70 28.96% CHEMBL520349 Inactive 83.02%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.75 -9.31 -9.01 24.09% CHEMBL2440899 Inactive 97.04%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.72 -8.16 -8.41 35.60% CHEMBL494018 Inactive 64.18%
OPRD_HUMAN opioid receptor delta 1 -8.18 -8.13 -8.21 43.27% CHEMBL212375 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.73 -8.86 -9.46 37.67% CHEMBL127619 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.75 -7.76 -8.53 37.04% CHEMBL377340 Inactive 78.30%
OPRX_HUMAN opioid related nociceptin receptor 1 -8.56 -7.37 -7.93 30.48% CHEMBL466066 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -9.08 -8.51 -8.95 65.79% CHEMBL20344 Active 93.81%
TAAR1_HUMAN trace amine associated receptor 1 -9.89 -9.59 -8.88 31.79% CHEMBL3190696 Inactive 74.86%
TSHR_HUMAN thyroid stimulating hormone receptor -9.99 -10.41 -9.80 27.41% CHEMBL3964880 Inactive 93.07%
V1AR_HUMAN arginine vasopressin receptor 1A -8.38 -8.24 -9.54 39.53% CHEMBL1837037 Inactive 87.61%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -8.58 -8.91 -9.23 28.96% CHEMBL520349 N/A N/A