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Ligand

NameCHEMBL324686
Molecular formulaC9H14N2O4
IUPAC name2-amino-5-(5-methyl-3-oxo-1,2-oxazol-4-yl)pentanoic acid
Molecular weight214.221
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP-2.5
Synonyms2-Amino-5-(3-hydroxy-5-methyl-isoxazol-4-yl)-pentanoic acid
BDBM50052555
Inchi KeyKPBUTYWLSJNOCV-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H14N2O4/c1-5-6(8(12)11-15-5)3-2-4-7(10)9(13)14/h7H,2-4,10H2,1H3,(H,11,12)(H,13,14)
PubChem CID44338561
ChEMBLCHEMBL324686
IUPHARN/A
BindingDB50052555
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
174590Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
174588Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
174587Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912
174589Metabotropic glutamate receptor 6O15303GRM6Homo sapiens (Human)877

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