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Ligand

NameCHEMBL387018
Molecular formulaC21H20BrN3O3S
IUPAC nameN-[5-bromo-2-(piperidine-1-carbonyl)phenyl]isoquinoline-5-sulfonamide
Molecular weight474.373
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50196160
N-(5-bromo-2-(piperidine-1-carbonyl)phenyl)isoquinoline-5-sulfonamide
1-[4-bromo-2-[(isoquinolin-5-ylsulfonyl)amino]-benzoyl]-piperidine
Inchi KeyFJGHNQFTCBCZGU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20BrN3O3S/c22-16-7-8-18(21(26)25-11-2-1-3-12-25)19(13-16)24-29(27,28)20-6-4-5-15-14-23-10-9-17(15)20/h4-10,13-14,24H,1-3,11-12H2
PubChem CID16090686
ChEMBLCHEMBL387018
IUPHARN/A
BindingDB50196160
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
79724Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
79723Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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