BioLiP

PDB

BioLiP

PDB CCD ID:

A1CI3

Number of entries in BioLiP:

Chemical formula:

C14 H13 N O4

InChI:

InChI=1S/C14H13NO4/c1-2-8-5-3-4-6-9(8)10-7-11(16)13(17)12(15-10)14(18)19/h3-7,17H,2H2,1H3,(H,15,16)(H,18,19)

InChIKey:

ZVOTZBNDSAQIRQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CCc1ccccc1c2cc(c(c(n2)C(=O)O)O)O
ACDLabs 14.52	Oc1c(O)cc(nc1C(O)=O)c1ccccc1CC
CACTVS 3.385	CCc1ccccc1c2cc(O)c(O)c(n2)C(O)=O

Name:

(6M)-6-(2-ethylphenyl)-3,4-dihydroxypyridine-2-carboxylic acid

ChEMBL:

CHEMBL4539596

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).