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Ligand

NameCHEMBL176903
Molecular formulaC22H16ClNO3
IUPAC name4-chloro-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]benzoic acid
Molecular weight377.824
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50291509
3-((E)-3-Biphenyl-4-yl-acryloylamino)-4-chloro-benzoic acid
Inchi KeyAZEDGNIXYIDJOW-MDWZMJQESA-N
Inchi IDInChI=1S/C22H16ClNO3/c23-19-12-11-18(22(26)27)14-20(19)24-21(25)13-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-14H,(H,24,25)(H,26,27)/b13-8+
PubChem CID44386171
ChEMBLCHEMBL176903
IUPHARN/A
BindingDB50291509
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
18073Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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