BioLiP

PDB

BioLiP

PDB CCD ID:

A1BUB

Number of entries in BioLiP:

Chemical formula:

C8 H8 O3

InChI:

InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)

InChIKey:

NJESAXZANHETJV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1ccc(c(c1)O)C(=O)O
ACDLabs 14.52	OC(=O)c1ccc(C)cc1O
CACTVS 3.385	Cc1ccc(C(O)=O)c(O)c1

Name:

2-hydroxy-4-methylbenzoic acid;
4-methyl salicylic acid

ChEMBL:

CHEMBL1650625

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).