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BioLiP

PDB CCD ID: KLF
Number of entries in BioLiP: 0
Chemical formula: C5 H10 N2 O2
InChI: InChI=1S/C5H10N2O2/c6-5(9)4-1-3(8)2-7-4/h3-4,7-8H,1-2H2,(H2,6,9)/t3-,4+/m1/s1
InChIKey: OJSXAYGYRGXDSQ-DMTCNVIQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1C(CNC1C(=O)N)O
OpenEye OEToolkits 2.0.7C1[C@H](CN[C@@H]1C(=O)N)O
CACTVS 3.385NC(=O)[C@@H]1C[C@@H](O)CN1
CACTVS 3.385NC(=O)[CH]1C[CH](O)CN1
Name:(2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide
ZINC: ZINC000082068168
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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