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BioLiP

PDB CCD ID: WGW
Number of entries in BioLiP: 1
Chemical formula: C12 H9 Cl2 N3 O3
InChI: InChI=1S/C12H9Cl2N3O3/c13-6-1-2-9(8(14)3-6)16-10(18)4-7-5-11(19)17-12(20)15-7/h1-3H,4-5H2,(H,16,18)(H,17,19,20)
InChIKey: XZSIDAGQLQFSBS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1Cl)Cl)NC(=O)CC2=NC(=O)NC(=O)C2
CACTVS 3.385Clc1ccc(NC(=O)CC2=NC(=O)NC(=O)C2)c(Cl)c1
ACDLabs 12.01O=C1N=C(CC(=O)Nc2ccc(Cl)cc2Cl)CC(=O)N1
Name:N-(2,4-dichlorophenyl)-2-(2,6-dioxo-1,2,5,6-tetrahydropyrimidin-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)(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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