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Ligand

NameCHEMBL355319
Molecular formulaC27H29N3O4
IUPAC nametert-butyl 2-[3-(naphthalen-1-ylcarbamoylamino)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
Molecular weight459.546
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50281725
L007187
[3-(3-Naphthalen-1-yl-ureido)-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl]-acetic acid tert-butyl ester
Inchi KeyASWMJVZBNJCXGG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N3O4/c1-27(2,3)34-24(31)17-30-23-14-7-5-10-19(23)15-16-22(25(30)32)29-26(33)28-21-13-8-11-18-9-4-6-12-20(18)21/h4-14,22H,15-17H2,1-3H3,(H2,28,29,33)
PubChem CID44210427
ChEMBLCHEMBL355319
IUPHARN/A
BindingDB50281725
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
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GLASS IDNameUniProtGeneSpeciesLength
13596Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
13595Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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