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BioLiP

PDB CCD ID: OBO
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2[nH]cn3
CACTVS 3.385Clc1cccc(CC(=O)Nc2cncc3nc[nH]c23)c1
ACDLabs 12.01Clc1cccc(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, Peter L 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).

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