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Ligand

NameCHEMBL1829812
Molecular formulaC24H28ClNO4S
IUPAC name4-chloro-N-[2-[3-[[3-(cyclopropylmethyl)-4-hydroxy-2-oxocyclopentyl]methyl]phenyl]ethyl]benzenesulfonamide
Molecular weight462.001
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50353632
Inchi KeyKLXDWDCODDZSIF-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28ClNO4S/c25-20-6-8-21(9-7-20)31(29,30)26-11-10-16-2-1-3-18(12-16)13-19-15-23(27)22(24(19)28)14-17-4-5-17/h1-3,6-9,12,17,19,22-23,26-27H,4-5,10-11,13-15H2
PubChem CID56680464
ChEMBLCHEMBL1829812
IUPHARN/A
BindingDB50353632
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
172405Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343
172406Thromboxane A2 receptorP30987Tbxa2rMus musculus (Mouse)341

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