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BioLiP

PDB CCD ID: S4I
Number of entries in BioLiP: 1
Chemical formula: C11 H10 Cl N O3
InChI: InChI=1S/C11H10ClNO3/c12-8-3-1-7(2-4-8)5-13-6-9(14)10(15)11(13)16/h1-4,10,15H,5-6H2/t10-/m0/s1
InChIKey: PFMGUYCPWRXKBL-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@H]1C(=O)CN(Cc2ccc(Cl)cc2)C1=O
CACTVS 3.385O[CH]1C(=O)CN(Cc2ccc(Cl)cc2)C1=O
OpenEye OEToolkits 2.0.7c1cc(ccc1CN2CC(=O)C(C2=O)O)Cl
ACDLabs 12.01Clc1ccc(CN2CC(=O)C(O)C2=O)cc1
Name:(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-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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