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Ligand

NameCHEMBL177760
Molecular formulaC20H34O3S
IUPAC name(Z)-7-[3-(2-pentylsulfanylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Molecular weight354.549
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50405925
Inchi KeyAIXODEBHLBBHQA-XQRVVYSFSA-N
Inchi IDInChI=1S/C20H34O3S/c1-2-3-8-14-24-15-13-17-16(18-11-12-19(17)23-18)9-6-4-5-7-10-20(21)22/h4,6,16-19H,2-3,5,7-15H2,1H3,(H,21,22)/b6-4-
PubChem CID44387046
ChEMBLCHEMBL177760
IUPHARN/A
BindingDB50405925
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6634Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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