BioLiP

PDB

BioLiP

PDB CCD ID:

NRW

Number of entries in BioLiP:

Chemical formula:

C12 H13 N3 O2

InChI:

InChI=1S/C12H13N3O2/c1-9-6-11(17-14-9)12(16)15(2)8-10-4-3-5-13-7-10/h3-7H,8H2,1-2H3

InChIKey:

YRZCJLIACJLYBI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1cc(on1)C(=O)N(C)Cc2cccnc2
CACTVS 3.385	CN(Cc1cccnc1)C(=O)c2onc(C)c2
ACDLabs 12.01	Cc2cc(C(N(C)Cc1cccnc1)=O)on2

Name:

N,3-dimethyl-N-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide

ZINC:

ZINC000048344789

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).