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Ligand

NameCHEMBL313005
Molecular formulaC30H40N4O6S2
IUPAC nameethyl 2-[2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazol-4-yl]-2-hydroxypropanoate
Molecular weight616.792
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.1
SynonymsBDBM50285771
Inchi KeyAJAKYPNJLRSACU-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H40N4O6S2/c1-6-9-14-25-32-27(41-5)26(30(4,37)28(35)40-8-3)34(25)20-21-15-17-22(18-16-21)23-12-10-11-13-24(23)42(38,39)33-29(36)31-19-7-2/h10-13,15-18,37H,6-9,14,19-20H2,1-5H3,(H2,31,33,36)
PubChem CID44321626
ChEMBLCHEMBL313005
IUPHARN/A
BindingDB50285771
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6703Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363

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