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Ligand

NameCHEMBL2011450
Molecular formulaC25H21FN2O4
IUPAC name2-[3-[1-[(4-fluorophenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]-4-methoxyphenyl]acetic acid
Molecular weight432.451
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50378984
Inchi KeyAUMFSVOAGVFNOW-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H21FN2O4/c1-32-22-11-8-17(13-24(30)31)12-20(22)25-19-4-2-3-5-21(19)28(23(29)14-27-25)15-16-6-9-18(26)10-7-16/h2-12H,13-15H2,1H3,(H,30,31)
PubChem CID53495002
ChEMBLCHEMBL2011450
IUPHARN/A
BindingDB50378984
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14765Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
14766Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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