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Ligand

NameCHEMBL268048
Molecular formulaC26H30FNO5S
IUPAC name(E)-7-[(5R,6S)-4-(3-fluorophenyl)-6-[(4-methylphenyl)sulfonylamino]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
Molecular weight487.586
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.3
SynonymsN/A
Inchi KeyAOTOOIFRWJPXJS-RQNJDHIASA-N
Inchi IDInChI=1S/C26H30FNO5S/c1-18-11-13-21(14-12-18)34(31,32)28-25-22(9-4-2-3-5-10-24(29)30)26(16-23(25)33-17-26)19-7-6-8-20(27)15-19/h2,4,6-8,11-15,22-23,25,28H,3,5,9-10,16-17H2,1H3,(H,29,30)/b4-2+/t22-,23?,25-,26?/m0/s1
PubChem CID44266766
ChEMBLCHEMBL268048
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
10580Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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