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Ligand

NameCHEMBL565298
Molecular formulaC22H15BrClFN4O5S2
IUPAC name(2S)-2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chlorobenzoyl]amino]-3-(3-bromo-4-fluorophenyl)propanoic acid
Molecular weight613.857
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP5.1
SynonymsSCHEMBL3754592
AIQHEBMTAVWQHB-SFHVURJKSA-N
BDBM50415078
(S)-2-[2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-chloro-benzoylamino]-3-(3-bromo-4-fluoro-phenyl)-propionic acid
(S)-2-[2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-chlorobenzoylamino]-3-(3-bromo-4-fluoro-phenyl)-propionic acid
Inchi KeyAIQHEBMTAVWQHB-SFHVURJKSA-N
Inchi IDInChI=1S/C22H15BrClFN4O5S2/c23-14-8-11(4-7-15(14)25)9-18(22(31)32)26-21(30)13-6-5-12(24)10-17(13)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1
PubChem CID45486935
ChEMBLCHEMBL565298
IUPHARN/A
BindingDB50415078
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6451Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
6450Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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