BioLiP

PDB

BioLiP

PDB CCD ID:

RUV

Number of entries in BioLiP:

Chemical formula:

C11 H11 N5 O2

InChI:

InChI=1S/C11H11N5O2/c1-8(17)14-10-4-2-9(3-5-10)11(18)15-16-6-12-13-7-16/h2-7H,1H3,(H,14,17)(H,15,18)

InChIKey:

AGTLIJXMGDFIBI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(=O)Nc1ccc(cc1)C(=O)Nn2cnnc2
ACDLabs 12.01	N(C(C)=O)c1ccc(cc1)C(=O)Nn2cnnc2

Name:

4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide

ZINC:

ZINC000000030082

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).