BioLiP

PDB

BioLiP

PDB CCD ID:

A1B05

Number of entries in BioLiP:

Chemical formula:

C9 H11 N5 O2

InChI:

InChI=1S/C9H11N5O2/c1-14-12-4-8(13-14)9(15)10-3-2-7-5-16-6-11-7/h4-6H,2-3H2,1H3,(H,10,15)

InChIKey:

PBFVVICHKJKWIA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	Cn1ncc(n1)C(=O)NCCc1cocn1
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	Cn1ncc(n1)C(=O)NCCc2cocn2

Name:

2-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-2H-1,2,3-triazole-4-carboxamide

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).