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- ChemComp-M0N: (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPH... -

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Basic information

EntryDatabase: PDB chemical components / ID: M0N
NameName: (1-hydroxy-2-imidazo[1,2-A]pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid)
Synonyms: MINODRONATE; 1-HYDROXY-2-(5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-3-YL)ETHANE-1,1-DIYLDIPHOSPONIC ACID;

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Chemical information

Composition
Formula: C9H12N2O7P2 / Number of atoms: 32 / Formula weight: 322.148 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: M0N / Ideal coordinates details: OpenEye/OEToolkits V1.4.2
History
Create componentNov 10, 2005
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=P(O)(O)C(O)(P(=O)(O)O)Cc1cnc2ccccn12
CACTVS 3.341OC(Cc1cnc2ccccn12)([P](O)(O)=O)[P](O)(O)=O
OpenEye OEToolkits 1.5.0c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341OC(Cc1cnc2ccccn12)([P](O)(O)=O)[P](O)(O)=O
OpenEye OEToolkits 1.5.0c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O

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InChI

InChI 1.03InChI=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)

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InChIKey

InChI 1.03VMMKGHQPQIEGSQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid)
OpenEye OEToolkits 1.5.0(1-hydroxy-2-imidazo[3,2-a]pyridin-3-yl-1-phosphono-ethyl)phosphonic acid

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PDB entries

Showing all 5 items

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S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-261

PDB-2ewg:
T. brucei Farnesyl Diphosphate Synthase Complexed with Minodronate

PDB-2vf6:
Human FDPS synthase in complex with minodronate

PDB-3b7l:
Human farnesyl diphosphate synthase complexed with MG and minodronate

PDB-3ick:
Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with minodronate and isopentenyl disphosphate

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