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Ligand

NameCHEMBL269457
Molecular formulaC25H29ClFNO6S
IUPAC name2-[4-[(5S,6R)-6-[[(4-chlorophenyl)sulfonylamino]methyl]-4-(4-fluorophenyl)-2-oxabicyclo[2.2.1]heptan-5-yl]butoxy]acetic acid
Molecular weight526.016
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.4
SynonymsN/A
Inchi KeyAFYJVBPMGPYLIM-CLGZFQFVSA-N
Inchi IDInChI=1S/C25H29ClFNO6S/c26-18-6-10-20(11-7-18)35(31,32)28-14-21-22(3-1-2-12-33-15-24(29)30)25(13-23(21)34-16-25)17-4-8-19(27)9-5-17/h4-11,21-23,28H,1-3,12-16H2,(H,29,30)/t21-,22-,23?,25?/m0/s1
PubChem CID44266921
ChEMBLCHEMBL269457
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
4615Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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