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Ligand

NameCHEMBL314755
Molecular formulaC30H27FN4O4
IUPAC name(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-1-[(4-fluorophenyl)methyl]-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid
Molecular weight526.568
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.0
SynonymsBDBM50146660
(S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-1-(4-fluoro-benzyl)-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-acetic acid
Inchi KeyBKUCZUUARYQRPP-OFSOJUDTSA-N
Inchi IDInChI=1S/C30H27FN4O4/c1-19-16-20(2)34-29(33-19)39-27(28(37)38)30(22-8-4-3-5-9-22)24-10-6-7-11-25(24)35(26(36)17-32-30)18-21-12-14-23(31)15-13-21/h3-16,27,32H,17-18H2,1-2H3,(H,37,38)/t27-,30+/m1/s1
PubChem CID11785813
ChEMBLCHEMBL314755
IUPHARN/A
BindingDB50146660
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26175Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
26174Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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