BioLiP

PDB

BioLiP

PDB CCD ID:

UQV

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O3

InChI:

InChI=1S/C10H11NO3/c1-7(12)11-9-5-3-2-4-8(9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)

InChIKey:

BOEMFEOUVXWWNZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccccc1CC(=O)O
ACDLabs 12.01	c1ccc(CC(=O)O)c(NC(C)=O)c1
CACTVS 3.385	CC(=O)Nc1ccccc1CC(O)=O

Name:

[2-(acetylamino)phenyl]acetic acid

ZINC:

ZINC000034331250

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).