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BioLiP

PDB CCD ID: 9V2
Number of entries in BioLiP: 2
Chemical formula: C7 H11 N O2
InChI: InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/t7-/m0/s1
InChIKey: HAPOVYFOVVWLRS-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[C]1(C)CC(=O)NC1=O
OpenEye OEToolkits 2.0.6CCC1(CC(=O)NC1=O)C
CACTVS 3.385CC[C@@]1(C)CC(=O)NC1=O
OpenEye OEToolkits 2.0.6CC[C@]1(CC(=O)NC1=O)C
Name:(3~{S})-3-ethyl-3-methyl-pyrrolidine-2,5-dione
ZINC: ZINC000001530805
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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