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BioLiP

PDB CCD ID: V3F
Number of entries in BioLiP: 2
Chemical formula: C10 H10 N2 O2
InChI: InChI=1S/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1
InChIKey: JNGWGQUYLVSFND-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(C(=O)NC(=O)N1)c2ccccc2
OpenEye OEToolkits 2.0.7C[C@@]1(C(=O)NC(=O)N1)c2ccccc2
CACTVS 3.385C[C]1(NC(=O)NC1=O)c2ccccc2
CACTVS 3.385C[C@]1(NC(=O)NC1=O)c2ccccc2
ACDLabs 12.01CC1(NC(=O)NC1=O)c1ccccc1
Name:(5S)-5-methyl-5-phenylimidazolidine-2,4-dione
ZINC: ZINC000000119710
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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