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Ligand

NameCHEMBL115658
Molecular formulaC27H27NO5S
IUPAC name3-[[6-[(E)-2-carboxyethenyl]-5-(4-phenylbutoxy)pyridin-2-yl]methylsulfanylmethyl]benzoic acid
Molecular weight477.575
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.0
Synonyms3-[6-((E)-2-Carboxy-vinyl)-5-(4-phenyl-butoxy)-pyridin-2-ylmethylsulfanylmethyl]-benzoic acid
BDBM50037376
SCHEMBL8066017
3-[[[[5-[(4-Phenylbutyl)oxy]-6-[(E)-2-carboxyethenyl]pyridin-2-yl]methyl]thio]methyl]benzoic acid
Inchi KeyAYQLHLVAMFCCJH-FYWRMAATSA-N
Inchi IDInChI=1S/C27H27NO5S/c29-26(30)15-13-24-25(33-16-5-4-9-20-7-2-1-3-8-20)14-12-23(28-24)19-34-18-21-10-6-11-22(17-21)27(31)32/h1-3,6-8,10-15,17H,4-5,9,16,18-19H2,(H,29,30)(H,31,32)/b15-13+
PubChem CID10050724
ChEMBLCHEMBL115658
IUPHARN/A
BindingDB50037376
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
17694Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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