BioLiP

PDB

BioLiP

PDB CCD ID:

K0J

Number of entries in BioLiP:

Chemical formula:

C5 H8 N4 O

InChI:

InChI=1S/C5H8N4O/c1-2-6-5(10)4-3-7-9-8-4/h3H,2H2,1H3,(H,6,10)(H,7,8,9)

InChIKey:

VTJBQJOBKLNCDW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n1nnc(c1)C(NCC)=O
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCNC(=O)c1c[nH]nn1

Name:

N-ethyl-1H-1,2,3-triazole-4-carboxamide

ZINC:

ZINC000070190771

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).