BioLiP

PDB

BioLiP

PDB CCD ID:

QZZ

Number of entries in BioLiP:

Chemical formula:

C20 H14 N2 O4

InChI:

InChI=1S/C20H14N2O4/c1-26-15-4-2-3-14(9-15)18-10-16(17(11-21)19(23)22-18)12-5-7-13(8-6-12)20(24)25/h2-10H,1H3,(H,22,23)(H,24,25)

InChIKey:

DYVOFZNYRIDQOP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N#CC2=C(C=C(c1cccc(OC)c1)NC2=O)c3ccc(C(=O)O)cc3
OpenEye OEToolkits 1.7.6	COc1cccc(c1)C2=CC(=C(C(=O)N2)C#N)c3ccc(cc3)C(=O)O
CACTVS 3.385	COc1cccc(c1)C2=CC(=C(C#N)C(=O)N2)c3ccc(cc3)C(O)=O

Name:

4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid

ChEMBL:

CHEMBL3394151

ZINC:

ZINC000230584010

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).