BioLiP

PDB

BioLiP

PDB CCD ID:

VVK

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O3

InChI:

InChI=1S/C11H15NO3/c1-11(2,10(13)14)12-8-6-4-5-7-9(8)15-3/h4-7,12H,1-3H3,(H,13,14)

InChIKey:

UZHWAXFPZBAHMZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	COc1ccccc1NC(C)(C)C(=O)O
CACTVS 3.385	COc1ccccc1NC(C)(C)C(O)=O
OpenEye OEToolkits 2.0.7	CC(C)(C(=O)O)Nc1ccccc1OC

Name:

N-(2-methoxyphenyl)-2-methyl-L-alanine

ZINC:

ZINC000004244812

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).