BioLiP

PDB

BioLiP

PDB CCD ID:

9ZS

Number of entries in BioLiP:

Chemical formula:

C16 H12 Cl2 N4 O

InChI:

InChI=1S/C16H12Cl2N4O/c17-9-2-1-3-10(18)12(9)14-20-11-6-7-19-15(13(11)21-14)22-16(23)8-4-5-8/h1-3,6-8H,4-5H2,(H,20,21)(H,19,22,23)

InChIKey:

OFPQQEBBZKPLFE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1cccc(Cl)c1c2[nH]c3ccnc(NC(=O)C4CC4)c3n2
ACDLabs 12.01	c1(c(cccc1Cl)Cl)c4nc3c(ccnc3NC(C2CC2)=O)n4
OpenEye OEToolkits 2.0.6	c1cc(c(c(c1)Cl)c2[nH]c3ccnc(c3n2)NC(=O)C4CC4)Cl

Name:

N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide

ChEMBL:

CHEMBL4064189

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).