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Ligand

NameCHEMBL226583
Molecular formulaC30H34N6O5
IUPAC name2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
Molecular weight558.639
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.8
SynonymsL022194
2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl]-N-[3-(5-oxo-2,5-dihydro-[1,2,4]oxadiazol-3-yl)-phenyl]-acetamide
SCHEMBL3911300
VLYZWOUEQOSDIN-UHFFFAOYSA-N
BDBM50411341
Inchi KeyVLYZWOUEQOSDIN-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H34N6O5/c1-30(2,3)24(37)17-35-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)33-36(29(35)40)18-25(38)31-21-13-9-12-20(16-21)27-32-28(39)41-34-27/h7-9,12-16,19H,4-6,10-11,17-18H2,1-3H3,(H,31,38)(H,32,34,39)
PubChem CID135610887
ChEMBLCHEMBL226583
IUPHARN/A
BindingDB50411341
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
358342Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
358339Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
358340Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
358341Gastrin/cholecystokinin type B receptorP30552CCKBRCanis lupus familiaris (Dog)453

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