BioLiP

PDB

BioLiP

PDB CCD ID:

U5Q

Number of entries in BioLiP:

Chemical formula:

C17 H13 N O3

InChI:

InChI=1S/C17H13NO3/c1-10-4-6-14-12(3-2-8-18-14)16(10)11-5-7-15(19)13(9-11)17(20)21/h2-9,19H,1H3,(H,20,21)

InChIKey:

BPSYEVVQJDPPAQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc2c(c1c3ccc(c(c3)C(=O)O)O)cccn2
ACDLabs 12.01	O=C(O)c1cc(ccc1O)c1c(C)ccc2ncccc12
CACTVS 3.385	Cc1ccc2ncccc2c1c3ccc(O)c(c3)C(O)=O

Name:

(5P)-2-hydroxy-5-(6-methylquinolin-5-yl)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).