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Ligand

NameCHEMBL126337
Molecular formulaC26H27ClN2O4S
IUPAC namemethyl (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoate
Molecular weight499.022
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50043837
(E)-6-{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phenyl}-6-pyridin-3-yl-hex-5-enoic acid methyl ester
Inchi KeyAERMYTSNNRHMDS-KXEZBXAJSA-N
Inchi IDInChI=1S/C26H27ClN2O4S/c1-33-26(30)7-3-2-6-25(22-5-4-17-28-19-22)21-10-8-20(9-11-21)16-18-29-34(31,32)24-14-12-23(27)13-15-24/h4-6,8-15,17,19,29H,2-3,7,16,18H2,1H3/b25-6+
PubChem CID10074653
ChEMBLCHEMBL126337
IUPHARN/A
BindingDB50043837
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
3784Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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