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Ligand

NameCHEMBL163276
Molecular formulaC24H24IN3O5S
IUPAC name4-[(E)-[[3-[2-[(4-iodophenyl)sulfonylamino]ethyl]phenyl]-pyridin-3-ylmethylidene]amino]oxybutanoic acid
Molecular weight593.436
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50391315
Inchi KeyCRSIIGUKJRYLGG-ZZIIXHQDSA-N
Inchi IDInChI=1S/C24H24IN3O5S/c25-21-8-10-22(11-9-21)34(31,32)27-14-12-18-4-1-5-19(16-18)24(20-6-2-13-26-17-20)28-33-15-3-7-23(29)30/h1-2,4-6,8-11,13,16-17,27H,3,7,12,14-15H2,(H,29,30)/b28-24+
PubChem CID44374860
ChEMBLCHEMBL163276
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
49062Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343
49063Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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