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Ligand

NameBay u9773
Molecular formulaC27H36O5S
IUPAC name4-[(4S,5R,6E,8E,10E,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanylbenzoic acid
Molecular weight472.64
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP6.7
SynonymsCAS_134733-55-4
134733-55-4
MFCD00898723
6(R)-(4-Carboxyphenylthio)-5(S)-hydroxy-7(E),9(E),11(E),14(Z)-eicosatetraenoic acid
BDBM85722
[ Show all ]
Inchi KeyPKJINWOACFYDQN-FFVQPXRTSA-N
Inchi IDInChI=1S/C27H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(28)15-14-17-26(29)30)33-23-20-18-22(19-21-23)27(31)32/h6-7,9-13,16,18-21,24-25,28H,2-5,8,14-15,17H2,1H3,(H,29,30)(H,31,32)/b7-6-,10-9+,12-11+,16-13+/t24-,25+/m0/s1
PubChem CID57340263
ChEMBLN/A
IUPHARN/A
BindingDB85722
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
261942Cysteinyl leukotriene receptor 2Q9NS75CYSLTR2Homo sapiens (Human)346

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