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BioLiP

PDB CCD ID: SQ7
Number of entries in BioLiP: 1
Chemical formula: C9 H5 Cl N2 O2
InChI: InChI=1S/C9H5ClN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-5H
InChIKey: NBCHVOUDLBVSEK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(cc1)N2C(=O)C=NC2=O
OpenEye OEToolkits 2.0.6c1cc(ccc1N2C(=O)C=NC2=O)Cl
Name:3-(4-chlorophenyl)imidazole-2,4-dione
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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