BioLiP

PDB

BioLiP

PDB CCD ID:

A1CSC

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O3

InChI:

InChI=1S/C8H9NO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,9H2,1H3

InChIKey:

OMWQHVRUXLRZRC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	COC(=O)c1cccc(c1O)N
ACDLabs 14.52	Nc1cccc(C(=O)OC)c1O
CACTVS 3.385	COC(=O)c1cccc(N)c1O

Name:

methyl 3-amino-2-hydroxybenzoate

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).