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BioLiP

PDB CCD ID: W3Y
Number of entries in BioLiP: 2
Chemical formula: C10 H9 Cl N2 O2
InChI: InChI=1S/C10H9ClN2O2/c1-6-9(14)12-10(15)13(6)8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,14,15)/t6-/m0/s1
InChIKey: YRTFBBSKIRZNAW-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H]1C(=O)NC(=O)N1c2ccc(cc2)Cl
ACDLabs 12.01N2C(N(c1ccc(cc1)Cl)C(C2=O)C)=O
OpenEye OEToolkits 2.0.7CC1C(=O)NC(=O)N1c2ccc(cc2)Cl
CACTVS 3.385C[CH]1N(C(=O)NC1=O)c2ccc(Cl)cc2
CACTVS 3.385C[C@@H]1N(C(=O)NC1=O)c2ccc(Cl)cc2
Name:(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
ZINC: ZINC000004219004
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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