BioLiP

PDB

BioLiP

PDB CCD ID:

OGV

Number of entries in BioLiP:

Chemical formula:

C14 H11 Cl N4 O

InChI:

InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-13(20)16-14-18-17-12-6-1-2-7-19(12)14/h1-8H,9H2,(H,16,18,20)

InChIKey:

PICHRHZICCXQLR-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1cccc(c1)CC(=O)Nc1nnc2ccccn21
OpenEye OEToolkits 2.0.7	c1ccn2c(c1)nnc2NC(=O)Cc3cccc(c3)Cl
CACTVS 3.385	Clc1cccc(CC(=O)Nc2nnc3ccccn23)c1

Name:

2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

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).