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BioLiP Library

PDB CCD ID: A1AP9
Number of entries in BioLiP: 1
Chemical formula: C7 H11 N3 O2
InChI: InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)/t7-/m0/s1
InChIKey: PLFDWSDBRBNQLQ-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1NC(=O)[C]2(CCCNC2)N1
OpenEye OEToolkits 2.0.7C1CC2(CNC1)C(=O)NC(=O)N2
CACTVS 3.385O=C1NC(=O)[C@@]2(CCCNC2)N1
ACDLabs 12.01O=C1NC(=O)NC21CCCNC2
OpenEye OEToolkits 2.0.7C1C[C@]2(CNC1)C(=O)NC(=O)N2
Name:(5S)-1,3,7-triazaspiro[4.5]decane-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)(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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