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Ligand

NameCHEMBL330773
Molecular formulaC29H32N4O3S
IUPAC name1-[1-(3,3-dimethylbutyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-(3-methylsulfanylphenyl)urea
Molecular weight516.66
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.5
SynonymsSCHEMBL8636794
Inchi KeyBQKVUUOEFFCBIC-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32N4O3S/c1-29(2,3)17-18-32-23-15-8-9-16-24(23)33(21-12-6-5-7-13-21)27(35)25(26(32)34)31-28(36)30-20-11-10-14-22(19-20)37-4/h5-16,19,25H,17-18H2,1-4H3,(H2,30,31,36)
PubChem CID10768190
ChEMBLCHEMBL330773
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30417Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
30416Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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