BioLiP

PDB

BioLiP

PDB CCD ID:

PF0

Number of entries in BioLiP:

Chemical formula:

C8 H8 O3

InChI:

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

InChIKey:

RIERSGULWXEJKL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	Cc1c(cccc1O)C(=O)O
ACDLabs 12.01	O=C(O)c1cccc(O)c1C
CACTVS 3.370	Cc1c(O)cccc1C(O)=O

Name:

3-hydroxy-2-methylbenzoic acid

ZINC:

ZINC000001698894

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).