suplatast #60 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 -8.25 -7.84 -8.56 39.53% CHEMBL340786 Inactive 50.69%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.36 -8.83 -9.01 39.53% CHEMBL340786 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.38 -7.76 -7.49 39.53% CHEMBL340786 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -8.72 -7.98 -9.11 28.50% CHEMBL29410 Inactive 73.78%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -8.58 -9.75 -8.71 35.62% CHEMBL184994 Inactive 51.91%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.83 -8.89 N/A 39.41% CHEMBL3409256 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.97 -8.78 -9.28 39.04% CHEMBL209324 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.16 -8.81 N/A 38.41% CHEMBL1642865 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -9.01 -9.69 -8.04 34.39% CHEMBL180680 Inactive 60.12%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.14 -8.26 -8.39 30.91% CHEMBL3326993 Inactive 66.67%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.11 -7.93 -8.62 40.38% CHEMBL3409260 Active 59.08%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.74 -8.39 -8.91 39.41% CHEMBL3409256 Active 55.14%
AA1R_HUMAN adenosine A1 receptor -8.03 -7.80 -7.70 33.04% CHEMBL1760901 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -7.62 -7.97 -7.19 34.12% CHEMBL201042 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -9.19 -8.63 -7.90 34.12% CHEMBL201042 Inactive 69.74%
AA3R_HUMAN adenosine A3 receptor -0.54 -3.14 -6.04 36.59% CHEMBL24 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.96 11.34 N/A 37.08% CHEMBL2057512 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -9.36 -8.75 -7.78 41.35% CHEMBL82859 Active 56.04%
ACM3_HUMAN cholinergic receptor muscarinic 3 -7.98 -8.83 -9.41 41.35% CHEMBL82859 Inactive 51.07%
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.21 -7.59 N/A 35.42% CHEMBL71531 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -8.71 -8.88 -9.95 41.25% CHEMBL3184335 Active 72.42%
ACTHR_HUMAN melanocortin 2 receptor -8.41 -7.88 -6.87 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.24 -6.75 -8.36 38.58% CHEMBL142635 Inactive 67.18%
ADA2A_HUMAN adrenoceptor alpha 2A 17.84 ? ? ? ? ? ?
ADA2B_HUMAN adrenoceptor alpha 2B -9.48 -8.04 -8.03 34.75% CHEMBL518592 Active 55.33%
ADA2C_HUMAN adrenoceptor alpha 2C 15.32 ? ? ? ? ? ?
ADRB1_HUMAN adrenoceptor beta 1 -8.56 -8.28 -8.93 50.34% CHEMBL12943 Active 60.53%
ADRB2_HUMAN adrenoceptor beta 2 -8.68 -9.20 -9.43 50.34% CHEMBL12943 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -8.21 -9.15 -8.15 50.34% CHEMBL12943 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -8.38 -8.63 -8.40 28.04% CHEMBL215160 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -9.36 -9.28 -9.00 34.10% CHEMBL280869 Inactive 71.59%
CALCR_HUMAN calcitonin receptor -7.03 -7.84 -8.20 27.11% CHEMBL2369905 Inactive 98.12%
CCKAR_HUMAN cholecystokinin A receptor -8.06 -7.86 -9.01 35.03% CHEMBL357983 Inactive 93.05%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.73 -7.71 -7.45 39.60% CHEMBL2208416 Inactive 93.22%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.02 -7.34 -8.03 37.14% CHEMBL246313 Inactive 90.54%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.09 -7.74 -8.61 31.28% CHEMBL64391 Inactive 72.48%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.72 -7.86 -7.38 40.69% CHEMBL370552 Inactive 95.86%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.62 -9.34 -8.99 38.69% CHEMBL3342949 Inactive 85.60%
CNR1_HUMAN cannabinoid receptor 1 -8.43 -8.90 -8.47 43.37% CHEMBL410337 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -10.01 -9.14 N/A 42.14% CHEMBL466402 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 7.41 N/A N/A 31.44% CHEMBL3426944 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.28 -8.15 -7.26 38.24% CHEMBL3927944 Inactive 59.73%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.36 -8.03 -8.09 37.04% CHEMBL3949577 Inactive 94.72%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.89 -7.32 -7.34 30.57% CHEMBL4100900 N/A N/A
DRD1_HUMAN dopamine receptor D1 -8.83 -7.74 -8.22 35.93% CHEMBL1112 Active 54.42%
DRD2_HUMAN dopamine receptor D2 -7.43 N/A N/A 41.45% CHEMBL2165124 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.49 N/A N/A 41.29% CHEMBL1813585 N/A N/A
DRD4_HUMAN dopamine receptor D4 -9.00 -9.08 N/A 41.29% CHEMBL1813585 N/A N/A
DRD5_HUMAN dopamine receptor D5 -8.48 -9.77 -8.90 37.16% CHEMBL394080 Inactive 57.77%
EDNRA_HUMAN endothelin receptor type A -7.22 -7.88 -7.53 34.54% CHEMBL330629 Inactive 60.06%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 ? ? ? ? ? ? ?
GASR_HUMAN cholecystokinin B receptor -7.55 -7.88 -7.01 35.15% CHEMBL217424 Inactive 81.62%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.79 -9.19 3.14 30.57% CHEMBL507522 Inactive 99.99%
GRM2_HUMAN glutamate metabotropic receptor 2 10.43 8.86 10.84 43.66% CHEMBL1098389 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 0.00 2.28 -5.70 32.12% CHEMBL1630807 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 8.70 5.93 ? ? ? ? ?
GRM5_HUMAN glutamate metabotropic receptor 5 -9.46 -4.95 -7.67 36.71% CHEMBL206427 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -1.41 -1.66 5.09 31.22% CHEMBL1585091 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 13.55 0.93 -1.68 40.64% CHEMBL3560393 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 14.71 4.42 ? ? ? ? ?
HRH1_HUMAN histamine receptor H1 -6.71 N/A N/A 40.58% CHEMBL2158830 N/A N/A
HRH2_HUMAN histamine receptor H2 -10.07 -7.98 -9.05 33.14% CHEMBL107293 Active 96.21%
HRH3_HUMAN histamine receptor H3 -8.58 -8.80 -7.63 48.37% CHEMBL240187 Active 74.09%
HRH4_HUMAN histamine receptor H4 -8.76 -8.61 -8.87 30.86% CHEMBL1202325 Inactive 68.18%
MC3R_HUMAN melanocortin 3 receptor -7.69 -7.46 -7.59 34.48% CHEMBL467586 Inactive 67.87%
MC4R_HUMAN melanocortin 4 receptor -7.10 -7.24 -6.36 41.62% CHEMBL1200485 Inactive 88.79%
MC5R_HUMAN melanocortin 5 receptor -5.72 -8.33 -6.28 34.48% CHEMBL467586 Inactive 59.54%
MSHR_HUMAN melanocortin 1 receptor -7.40 -7.21 -7.91 33.00% CHEMBL591037 Inactive 64.90%
NK1R_HUMAN tachykinin receptor 1 -7.76 -8.00 -7.33 38.30% CHEMBL162332 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.49 -8.56 -7.92 33.14% CHEMBL183414 Inactive 97.24%
NPBW1_HUMAN neuropeptides B and W receptor 1 -9.07 -8.02 -8.57 26.11% CHEMBL1968640 Inactive 85.24%
NPFF1_HUMAN neuropeptide FF receptor 1 -7.93 -8.17 -8.46 32.70% CHEMBL3361420 Inactive 60.03%
NPSR1_HUMAN neuropeptide S receptor 1 -8.30 -9.59 -9.18 29.56% CHEMBL1801361 Inactive 69.79%
NPY1R_HUMAN neuropeptide Y receptor Y1 -8.71 -8.31 -7.85 34.00% CHEMBL329997 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.93 -7.95 -7.85 38.61% CHEMBL3104195 Inactive 96.45%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.09 -9.02 -8.48 29.66% CHEMBL3559801 Inactive 91.32%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.09 -7.26 -7.36 39.84% CHEMBL76661 Inactive 79.66%
OPRD_HUMAN opioid receptor delta 1 -7.23 -5.68 -7.05 40.27% CHEMBL2079638 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -8.77 -7.70 -8.09 36.36% CHEMBL1258503 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.04 -6.57 -7.43 36.36% CHEMBL1258503 Inactive 82.82%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.68 -7.73 -7.75 35.50% CHEMBL2064132 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.29 -8.40 -7.99 31.25% CHEMBL54106 Inactive 69.87%
TAAR1_HUMAN trace amine associated receptor 1 -9.10 -8.93 -8.59 47.90% CHEMBL1490462 Active 51.78%
TSHR_HUMAN thyroid stimulating hormone receptor -8.03 -8.26 -8.82 37.58% CHEMBL3913851 Inactive 89.49%
V1AR_HUMAN arginine vasopressin receptor 1A -8.56 -8.05 -8.10 40.13% CHEMBL3416769 Inactive 70.63%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -7.81 -7.68 -8.97 25.11% CHEMBL524852 N/A N/A