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Ligand

NameCHEMBL226673
Molecular formulaC30H36N4O5
IUPAC name2-[3-[[2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]acetic acid
Molecular weight532.641
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50411346
SCHEMBL3911435
Inchi KeyTVUIMMHGHOEKIU-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H36N4O5/c1-30(2,3)25(35)18-33-24-15-8-7-14-23(24)28(21-11-5-4-6-12-21)32-34(29(33)39)19-26(36)31-22-13-9-10-20(16-22)17-27(37)38/h7-10,13-16,21H,4-6,11-12,17-19H2,1-3H3,(H,31,36)(H,37,38)
PubChem CID16732909
ChEMBLCHEMBL226673
IUPHARN/A
BindingDB50411346
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
328656Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
328654Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
328655Gastrin/cholecystokinin type B receptorP30552CCKBRCanis lupus familiaris (Dog)453
328657Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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