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BioLiP

PDB CCD ID: 5FH
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O2
InChI: InChI=1S/C10H10N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)/t8-/m0/s1
InChIKey: DBOMTIHROGSFTI-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=C1N[CH](Cc2ccccc2)C(=O)N1
ACDLabs 10.04O=C1NC(C(=O)N1)Cc2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@H]2C(=O)NC(=O)N2
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC2C(=O)NC(=O)N2
CACTVS 3.341O=C1N[C@@H](Cc2ccccc2)C(=O)N1
Name:(5S)-5-benzylimidazolidine-2,4-dione
ChEMBL: CHEMBL1230407
ZINC: ZINC000000087027
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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