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BioLiP

PDB CCD ID: 5TX
Number of entries in BioLiP: 10
Chemical formula: C5 H10 N O6 P
InChI: InChI=1S/C5H10NO6P/c1-5(13(10,11)12)2-3(7)6(9)4(5)8/h3,7,9H,2H2,1H3,(H2,10,11,12)/t3-,5-/m0/s1
InChIKey: VVBLYPMICKYZTP-UCORVYFPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C[C@@]1(C[C@@H](N(C1=O)O)O)P(=O)(O)O
CACTVS 3.385C[C@@]1(C[C@H](O)N(O)C1=O)[P](O)(O)=O
OpenEye OEToolkits 2.0.4CC1(CC(N(C1=O)O)O)P(=O)(O)O
CACTVS 3.385C[C]1(C[CH](O)N(O)C1=O)[P](O)(O)=O
Name:((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid
ChEMBL: CHEMBL5187779
ZINC: ZINC000584905322
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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