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BioLiP

PDB CCD ID: 0KK
Number of entries in BioLiP: 2
Chemical formula: C16 H15 N3 O
InChI: InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18)
InChIKey: RNWLAFWLSSMCLN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6[H]/N=C/1\NC(C(=O)N1C)(c2ccccc2)c3ccccc3
ACDLabs 12.01O=C2N(C(=[N@H])NC2(c1ccccc1)c3ccccc3)C
OpenEye OEToolkits 1.7.6CN1C(=O)C(NC1=N)(c2ccccc2)c3ccccc3
CACTVS 3.370CN1C(=N)NC(C1=O)(c2ccccc2)c3ccccc3
Name:(2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one
ChEMBL: CHEMBL291784
ZINC: ZINC000029544241
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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