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Ligand

NameCHEMBL96114
Molecular formulaC32H32N4O4
IUPAC name(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-2-oxo-5-phenyl-1-(3-phenylpropyl)-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid
Molecular weight536.632
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50146669
(S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-2-oxo-5-phenyl-1-(3-phenyl-propyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-acetic acid
Inchi KeyAXVBSGVXXMZTEC-PPTMTGTBSA-N
Inchi IDInChI=1S/C32H32N4O4/c1-22-20-23(2)35-31(34-22)40-29(30(38)39)32(25-15-7-4-8-16-25)26-17-9-10-18-27(26)36(28(37)21-33-32)19-11-14-24-12-5-3-6-13-24/h3-10,12-13,15-18,20,29,33H,11,14,19,21H2,1-2H3,(H,38,39)/t29-,32+/m1/s1
PubChem CID11410074
ChEMBLCHEMBL96114
IUPHARN/A
BindingDB50146669
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
17104Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
17105Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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