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BioLiP

PDB CCD ID: MXT
Number of entries in BioLiP: 2
Chemical formula: C13 H22 N2 O3
InChI: InChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h9,18H,5-8H2,1-4H3
InChIKey: ZHMZILPINCAHPK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1(CC(CC(N1O)(C)C)N2C(=O)CCC2=O)C
CACTVS 3.341CC1(C)CC(CC(C)(C)N1O)N2C(=O)CCC2=O
ACDLabs 10.04O=C1N(C(=O)CC1)C2CC(N(O)C(C)(C)C2)(C)C
Name:1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)PYRROLIDINE-2,5-DIONE
DrugBank: DB08227
ZINC: ZINC000005762138
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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