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BioLiP

PDB CCD ID: 1EP
Number of entries in BioLiP: 2
Chemical formula: C17 H24 N2 O2
InChI: InChI=1S/C17H24N2O2/c1-11(2)14-15(20)19(16(21)18-14)10-12-6-8-13(9-7-12)17(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,18,21)/t14-/m0/s1
InChIKey: CTDZHQXPMZUNNH-AWEZNQCLSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1N(C(=O)NC1C(C)C)Cc2ccc(cc2)C(C)(C)C
OpenEye OEToolkits 1.7.6CC(C)[C@H]1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C
OpenEye OEToolkits 1.7.6CC(C)C1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C
CACTVS 3.370CC(C)[CH]1NC(=O)N(Cc2ccc(cc2)C(C)(C)C)C1=O
CACTVS 3.370CC(C)[C@@H]1NC(=O)N(Cc2ccc(cc2)C(C)(C)C)C1=O
Name:(5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-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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