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BioLiP Library

PDB CCD ID: 0X2
Number of entries in BioLiP: 2
Chemical formula: C12 H8 Cl2 N2 O2
InChI: InChI=1S/C12H8Cl2N2O2/c13-8-2-1-3-9(14)11(8)12(18)16-7-4-5-15-10(17)6-7/h1-3,5-6H,4H2,(H,16,18)
InChIKey: HKIJJBMBTHKEPC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl
CACTVS 3.370Clc1cccc(Cl)c1C(=O)NC2=CC(=O)N=CC2
ACDLabs 12.01O=C2N=CCC(NC(=O)c1c(Cl)cccc1Cl)=C2
Name:2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide
ZINC: ZINC000095920666
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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