BioLiP

PDB

BioLiP

PDB CCD ID:

A1CJH

Number of entries in BioLiP:

Chemical formula:

C14 H10 N2 O4

InChI:

InChI=1S/C14H10N2O4/c1-9-7-12(16-20-9)14(19)15-11-4-2-3-10(8-11)5-6-13(17)18/h2-4,7-8H,1H3,(H,15,19)(H,17,18)

InChIKey:

BOLNIAQMQMMEAF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)O
CACTVS 3.385	Cc1onc(c1)C(=O)Nc2cccc(c2)C#CC(O)=O
ACDLabs 14.52	Cc1cc(no1)C(=O)Nc1cc(C#CC(=O)O)ccc1

Name:

3-{3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl}prop-2-ynoic 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).