BioLiP

PDB

BioLiP

PDB CCD ID:

A1CI5

Number of entries in BioLiP:

Chemical formula:

C18 H13 N O5

InChI:

InChI=1S/C18H13NO5/c20-14-10-13(19-16(17(14)21)18(22)23)12-8-4-5-9-15(12)24-11-6-2-1-3-7-11/h1-10,21H,(H,19,20)(H,22,23)

InChIKey:

KWCCWLKDJYAVCR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1ccc(cc1)Oc2ccccc2C3=CC(=O)C(=C(N3)C(=O)O)O
ACDLabs 14.52	OC=1C(=O)C=C(NC=1C(O)=O)c1ccccc1Oc1ccccc1
CACTVS 3.385	OC(=O)C1=C(O)C(=O)C=C(N1)c2ccccc2Oc3ccccc3

Name:

(6M)-3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1,4-dihydropyridine-2-carboxylic acid

ChEMBL:

CHEMBL4460007

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).