SEQ2FUN

BioLiP

PDB CCD ID: MDN
Number of entries in BioLiP: 18
Chemical formula: C H6 O6 P2
InChI: InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
InChIKey: MBKDYNNUVRNNRF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(P(=O)(O)O)P(=O)(O)O
CACTVS 3.341O[P](O)(=O)C[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)CP(=O)(O)O
Name:METHYLENEDIPHOSPHONIC ACID
ChEMBL: CHEMBL180570
DrugBank: DB14078
ZINC: ZINC000008015016
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).