BioLiP

PDB

BioLiP

PDB CCD ID:

A1JOG

Number of entries in BioLiP:

Chemical formula:

C7 H7 N O3

InChI:

InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11)

InChIKey:

MRBKRZAPGUCWOS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cc(ccc1O)C(O)=O
OpenEye OEToolkits 2.0.7	c1cc(c(cc1C(=O)O)N)O

Name:

3-amino-4-hydroxybenzoic acid;
3-azanyl-4-oxidanyl-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).