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BioLiP

PDB CCD ID: 0M8
Number of entries in BioLiP: 1
Chemical formula: C9 H23 N O6 P2
InChI: InChI=1S/C9H23NO6P2/c1-2-3-4-5-6-7-10-8-9(17(11,12)13)18(14,15)16/h9-10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
InChIKey: WRMHTOUCTOHPIY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O
CACTVS 3.370CCCCCCCNCC([P](O)(O)=O)[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)C(CNCCCCCCC)P(=O)(O)O
Name:[2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid)
ChEMBL: CHEMBL261473
ZINC: ZINC000036176055
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).
  • 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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