Name: AF40431
Rating: 5 (10 reviews)

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HIT ID:HIT211982123
Cas No:181125-92-8
常用名:AF40431
IUPAC:(2S)-2-{[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]amino}-4-methylpentanoic acid
IUPAC:(2S)-2-{[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]amino}-4-methylpentanoic acid
InChI key:YPJLUCAXHFPZJD-ZDUSSCGKSA-N

分子式:C17H21NO5
分子量:319.357
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:0.16505207
SMILES:CC(C)C[C@H](NCc1c(O)ccc2c(C)cc(=O)oc12)C(O)=O
SMILES:CC(C)C[C@H](NCc1c(O)ccc2c(C)cc(=O)oc12)C(O)=O

AF40431 is the first reported small-molecule ligand of sortilin (IC50: 4.4 μM; Kd: 0.7 μM). AF40431 is bound in the neurotensin-binding site of sortilin.

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