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BioLiP

PDB CCD ID: VU5
Number of entries in BioLiP: 1
Chemical formula: C8 H16 N2 O2
InChI: InChI=1S/C8H16N2O2/c1-9-5-7(11)6-10-4-2-3-8(10)12/h7,9,11H,2-6H2,1H3/t7-/m0/s1
InChIKey: ZMESCLLKMGZIBU-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNCC(CN1CCCC1=O)O
CACTVS 3.385CNC[CH](O)CN1CCCC1=O
ACDLabs 12.01O=C1CCCN1CC(O)CNC
OpenEye OEToolkits 2.0.7CNC[C@@H](CN1CCCC1=O)O
CACTVS 3.385CNC[C@H](O)CN1CCCC1=O
Name:1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one
ZINC: ZINC000019864193
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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