BioLiP

PDB

BioLiP

PDB CCD ID:

OBO

Number of entries in BioLiP:

Chemical formula:

C14 H11 Cl N4 O

InChI:

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

InChIKey:

NXBRVTFHRPPFLN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2[nH]cn3
CACTVS 3.385	Clc1cccc(CC(=O)Nc2cncc3nc[nH]c23)c1
ACDLabs 12.01	Clc1cccc(c1)CC(=O)Nc1cncc2nc[NH]c12

Name:

2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-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).