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BioLiP

PDB CCD ID: LDE
Number of entries in BioLiP: 1
Chemical formula: C11 H22 N O6 P
InChI: InChI=1S/C11H22NO6P/c1-7(2)5-9(12)19(17,18)6-8(11(15)16)3-4-10(13)14/h7-9H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9+/m0/s1
InChIKey: GANKYZVDRZVCGT-DTWKUNHWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC(C)C[C@H](N)P(=O)(C[C@H](CCC(=O)O)C(=O)O)O
CACTVS 3.370CC(C)C[CH](N)[P](O)(=O)C[CH](CCC(O)=O)C(O)=O
CACTVS 3.370CC(C)C[C@H](N)[P](O)(=O)C[C@H](CCC(O)=O)C(O)=O
ACDLabs 12.01O=P(O)(CC(C(=O)O)CCC(=O)O)C(N)CC(C)C
OpenEye OEToolkits 1.7.2CC(C)CC(N)P(=O)(CC(CCC(=O)O)C(=O)O)O
Name:(2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid;
L-LEU-D-GLU PHOSPHINATE PSEUDODIPEPTIDE
ZINC: ZINC000025109584
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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