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Ligand

NameCHEMBL329744
Molecular formulaC30H36N4O5
IUPAC name(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-1-[(4-methoxyphenyl)methyl]-2-oxo-5-pentyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid
Molecular weight532.641
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50146665
SCHEMBL5359192
(S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-1-(4-methoxy-benzyl)-2-oxo-5-pentyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-acetic acid
Inchi KeyAAKCZJIYTMOXJF-OFSOJUDTSA-N
Inchi IDInChI=1S/C30H36N4O5/c1-5-6-9-16-30(27(28(36)37)39-29-32-20(2)17-21(3)33-29)24-10-7-8-11-25(24)34(26(35)18-31-30)19-22-12-14-23(38-4)15-13-22/h7-8,10-15,17,27,31H,5-6,9,16,18-19H2,1-4H3,(H,36,37)/t27-,30+/m1/s1
PubChem CID11307120
ChEMBLCHEMBL329744
IUPHARN/A
BindingDB50146665
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
267Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
266Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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