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BioLiP

PDB CCD ID: QJR
Number of entries in BioLiP: 2
Chemical formula: C16 H11 Cl2 N3 O
InChI: InChI=1S/C16H11Cl2N3O/c17-13-2-1-10(5-14(13)18)6-16(22)21-15-9-20-8-11-7-19-4-3-12(11)15/h1-5,7-9H,6H2,(H,21,22)
InChIKey: IOZNTHKFTJIBSE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1CC(=O)Nc2cncc3c2ccnc3)Cl)Cl
CACTVS 3.385Clc1ccc(CC(=O)Nc2cncc3cnccc23)cc1Cl
ACDLabs 12.01Clc1ccc(cc1Cl)CC(=O)Nc1cncc2cnccc21
Name:2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-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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