BioLiP

PDB

BioLiP

PDB CCD ID:

Y7O

Number of entries in BioLiP:

Chemical formula:

C18 H18 N4 O2

InChI:

InChI=1S/C18H18N4O2/c1-21-16(19-20-18(21)24)12-17(23)22(15-10-6-3-7-11-15)13-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,24)

InChIKey:

VRIJCYXVAGJSGQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CN1C(=O)NN=C1CC(=O)N(Cc1ccccc1)c1ccccc1
OpenEye OEToolkits 2.0.7	CN1C(=NNC1=O)CC(=O)N(Cc2ccccc2)c3ccccc3
CACTVS 3.385	CN1C(=O)NN=C1CC(=O)N(Cc2ccccc2)c3ccccc3

Name:

N-benzyl-2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-phenylacetamide

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).