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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameMLS000830374
Molecular formulaC24H26F3N3O3
IUPAC namemethyl (6S)-3-benzyl-2-(2-methoxyethylimino)-4-methyl-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
Molecular weight461.485
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.5
SynonymsSMR000672085
CHEMBL1335685
BDBM62142
cid_24789235
HMS2203E22
[ Show all ]
Inchi KeyAZIFWENGHFPMIR-NRFANRHFSA-N
Inchi IDInChI=1S/C24H26F3N3O3/c1-16-20(22(31)33-3)21(18-10-7-11-19(14-18)24(25,26)27)29-23(28-12-13-32-2)30(16)15-17-8-5-4-6-9-17/h4-11,14,21H,12-13,15H2,1-3H3,(H,28,29)/t21-/m0/s1
PubChem CID135693566
ChEMBLCHEMBL1335685
IUPHARN/A
BindingDB62142
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18180Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
18179Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
18178Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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