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BioLiP Library

PDB CCD ID: 4SQ
Number of entries in BioLiP: 4
Chemical formula: C8 H16 N3 O6 P
InChI: InChI=1S/C8H16N3O6P/c9-3-7(13)11-5-18(16,17)2-1-6(12)10-4-8(14)15/h1-5,9H2,(H,10,12)(H,11,13)(H,14,15)(H,16,17)
InChIKey: UENGEQFXYOYUEI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(O)(CNC(CCP(CNC(CN)=O)(O)=O)=O)=O
OpenEye OEToolkits 1.9.2C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O
CACTVS 3.385NCC(=O)NC[P](O)(=O)CCC(=O)NCC(O)=O
Name:tetraglycine phosphinate
ZINC: ZINC000263621084
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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