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Ligand

NameCHEMBL1770178
Molecular formulaC18H16N4O5
IUPAC name2-[[(3S)-3-amino-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]benzoic acid
Molecular weight368.349
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-1.0
SynonymsBDBM50342522
(S)-2-(3-amino-3-(3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoic acid
Inchi KeyAXWCJXNCHIYWDN-ZDUSSCGKSA-N
Inchi IDInChI=1S/C18H16N4O5/c19-13(9-15(24)20-14-4-2-1-3-12(14)18(25)26)17-21-16(22-27-17)10-5-7-11(23)8-6-10/h1-8,13,23H,9,19H2,(H,20,24)(H,25,26)/t13-/m0/s1
PubChem CID136088957
ChEMBLCHEMBL1770178
IUPHARN/A
BindingDB50342522
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
557762Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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