SEQ2FUN

BioLiP

PDB CCD ID: M0N
Number of entries in BioLiP: 7
Chemical formula: C9 H12 N2 O7 P2
InChI: InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
InChIKey: VMMKGHQPQIEGSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)C(O)(P(=O)(O)O)Cc1cnc2ccccn12
OpenEye OEToolkits 1.5.0c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O
CACTVS 3.341OC(Cc1cnc2ccccn12)([P](O)(O)=O)[P](O)(O)=O
Name:(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID);
MINODRONATE;
1-HYDROXY-2-(5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-3-YL)ETHANE-1,1-DIYLDIPHOSPONIC ACID;
(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YL-ETHYLIDENE)-1,1-BISPHOSPHONIC ACID
ChEMBL: CHEMBL319144
DrugBank: DB06548
ZINC: ZINC000003803518
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).