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Ligand

NameCHEMBL330135
Molecular formulaC34H34ClFN4O4
IUPAC name(2S)-2-[(5S)-5-(3-butylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid
Molecular weight617.118
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50146731
(S)-[(S)-5-(3-Butyl-phenyl)-1-(2-chloro-6-fluoro-benzyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-(4,6-dimethyl-pyrimidin-2-yloxy)-acetic acid
Inchi KeyAUSMSARLDRBCDW-FJQKOURKSA-N
Inchi IDInChI=1S/C34H34ClFN4O4/c1-4-5-10-23-11-8-12-24(18-23)34(31(32(42)43)44-33-38-21(2)17-22(3)39-33)26-13-6-7-16-29(26)40(30(41)19-37-34)20-25-27(35)14-9-15-28(25)36/h6-9,11-18,31,37H,4-5,10,19-20H2,1-3H3,(H,42,43)/t31-,34+/m1/s1
PubChem CID11204331
ChEMBLCHEMBL330135
IUPHARN/A
BindingDB50146731
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
14947Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
14948Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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