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BioLiP Library

PDB CCD ID: 9ZS
Number of entries in BioLiP: 2
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:
SoftwareSMILES
CACTVS 3.385Clc1cccc(Cl)c1c2[nH]c3ccnc(NC(=O)C4CC4)c3n2
ACDLabs 12.01c1(c(cccc1Cl)Cl)c4nc3c(ccnc3NC(C2CC2)=O)n4
OpenEye OEToolkits 2.0.6c1cc(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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