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Ligand

NameCHEMBL389639
Molecular formulaC30H36N4O5S
IUPAC name2-[3-[[2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]sulfanylacetic acid
Molecular weight564.701
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50411345
SCHEMBL3912923
Inchi KeyHUOIRVSSWJKCQP-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H36N4O5S/c1-30(2,3)25(35)17-33-24-15-8-7-14-23(24)28(20-10-5-4-6-11-20)32-34(29(33)39)18-26(36)31-21-12-9-13-22(16-21)40-19-27(37)38/h7-9,12-16,20H,4-6,10-11,17-19H2,1-3H3,(H,31,36)(H,37,38)
PubChem CID16732911
ChEMBLCHEMBL389639
IUPHARN/A
BindingDB50411345
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
124479Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
124478Gastrin/cholecystokinin type B receptorP30552CCKBRCanis lupus familiaris (Dog)453
124480Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
124481Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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