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Ligand

NameCHEMBL1829802
Molecular formulaC19H17ClN2O5S
IUPAC name4-chloro-N-[2-[3-[[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]methyl]phenyl]ethyl]benzenesulfonamide
Molecular weight420.864
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.7
SynonymsBDBM50353636
Inchi KeyCVPOHUCKSJLQHL-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17ClN2O5S/c20-14-4-6-15(7-5-14)28(26,27)22-9-8-12-2-1-3-13(10-12)11-21-16-17(23)19(25)18(16)24/h1-7,10,21-23H,8-9,11H2
PubChem CID54758054
ChEMBLCHEMBL1829802
IUPHARN/A
BindingDB50353636
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
51703Thromboxane A2 receptorP30987Tbxa2rMus musculus (Mouse)341
51704Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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