BioLiP

PDB

BioLiP

PDB CCD ID:

5NA

Number of entries in BioLiP:

Chemical formula:

C12 H10 O3

InChI:

InChI=1S/C12H10O3/c1-7-3-2-4-9-8(7)5-6-10(13)11(9)12(14)15/h2-6,13H,1H3,(H,14,15)

InChIKey:

KKMAZNUSFFWQQY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	Cc1cccc2c1ccc(c2C(=O)O)O
ACDLabs 11.02	O=C(O)c1c2c(ccc1O)c(ccc2)C
CACTVS 3.352	Cc1cccc2c1ccc(O)c2C(O)=O

Name:

2-hydroxy-5-methyl naphthoic acid;
2-hydroxy-5-methylnaphthalene-1-carboxylic 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).