BioLiP

PDB

BioLiP

PDB CCD ID:

9MJ

Number of entries in BioLiP:

Chemical formula:

C7 H7 N5 O2

InChI:

InChI=1S/C7H7N5O2/c8-6-10-5(4-2-1-3-14-4)11-12(6)7(9)13/h1-3H,(H2,9,13)(H2,8,10,11)

InChIKey:

NBDYCQJTOKDLCM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(oc1)c2nc(n(n2)C(=O)N)N
CACTVS 3.385	NC(=O)n1nc(nc1N)c2occc2
ACDLabs 12.01	O=C(n1nc(nc1N)c2occc2)N

Name:

5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide

ZINC:

ZINC000263620780

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).