BioLiP

PDB

BioLiP

PDB CCD ID:

A1IAU

Number of entries in BioLiP:

Chemical formula:

C13 H11 N O4

InChI:

InChI=1S/C13H11NO4/c14-12-10(13(17)18)5-8(6-11(12)16)7-2-1-3-9(15)4-7/h1-6,15-16H,14H2,(H,17,18)

InChIKey:

FLFZIGXNPJELGO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)O)c2cc(c(c(c2)O)N)C(=O)O
CACTVS 3.385	Nc1c(O)cc(cc1C(O)=O)c2cccc(O)c2

Name:

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