BioLiP

PDB

BioLiP

PDB CCD ID:

UOI

Number of entries in BioLiP:

Chemical formula:

C10 H9 N3 O2

InChI:

InChI=1S/C10H9N3O2/c1-7-6-9(15-13-7)10(14)12-8-2-4-11-5-3-8/h2-6H,1H3,(H,11,12,14)

InChIKey:

HPNYMQLDUOKPSU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	Cc1cc(on1)C(=O)Nc2ccncc2
ACDLabs 12.01	Cc2cc(C(Nc1ccncc1)=O)on2

Name:

3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide

ZINC:

ZINC000028576465

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).