BioLiP

PDB

BioLiP

PDB CCD ID:

A1IAY

Number of entries in BioLiP:

Chemical formula:

C13 H11 N O3

InChI:

InChI=1S/C13H11NO3/c14-12-5-4-9(7-11(12)13(16)17)8-2-1-3-10(15)6-8/h1-7,15H,14H2,(H,16,17)

InChIKey:

ZVZKDICKHCXFFL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ccc(cc1C(O)=O)c2cccc(O)c2
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)O)c2ccc(c(c2)C(=O)O)N

Name:

2-azanyl-5-(3-hydroxyphenyl)benzoic acid;
2-amino-5-(3-hydroxyphenyl)benzoic acid

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).