KEGG   DRUG: Ibandronic acidHelp
Entry
D08056                      Drug                                   

Name
Ibandronic acid (INN)
Formula
C9H23NO7P2
Exact mass
319.095
Mol weight
319.2289
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01600  Bisphosphonate
Remark
ATC code: M05BA06
Chemical structure group: DG00785
Product (DG00785): D04486<JP/US>
Efficacy
Antiresorptive, Farnesylpyrophosphate synthetase inhibitor
Comment
Bisphosphonate
Target
FDPS [HSA:2224] [KO:K00787]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Interaction
Drug interaction
Structure map
map07047  Osteoporosis drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M05 DRUGS FOR TREATMENT OF BONE DISEASES
   M05B DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
    M05BA Bisphosphonates
     M05BA06 Ibandronic acid
      D08056  Ibandronic acid (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FDPS
     D08056  Ibandronic acid (INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08056
BRITE hierarchy
Other DBs
CAS: 114084-78-5
PubChem: 96024748
ChEMBL: CHEMBL997
DrugBank: DB00710
PDB-CCD: BFQ[PDBj]
LigandBox: D08056
NIKKAJI: J476.066B
LinkDB All DBs
KCF data Show

ATOM        19
            1   P1b P    20.5800  -19.3200
            2   O1c O    20.5800  -17.9200
            3   O1c O    19.1800  -19.3200
            4   O1c O    20.5800  -20.7200
            5   C1d C    21.9800  -19.3200
            6   P1b P    23.3800  -19.3200
            7   C1b C    21.9800  -17.9200
            8   O1a O    21.9800  -20.7200
            9   O1c O    24.7800  -19.3200
            10  O1c O    23.3800  -17.9200
            11  O1c O    23.3800  -20.7200
            12  C1b C    23.1700  -17.2200
            13  N1c N    23.1700  -15.8200
            14  C1b C    24.3600  -15.1200
            15  C1a C    21.9800  -15.1200
            16  C1b C    25.6200  -15.8200
            17  C1b C    26.8100  -15.1200
            18  C1b C    28.0000  -15.8200
            19  C1a C    29.1900  -15.1200
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     5   6 1
            6     5   7 1
            7     5   8 1
            8     6   9 1
            9     6  10 2
            10    6  11 1
            11    7  12 1
            12   12  13 1
            13   13  14 1
            14   13  15 1
            15   14  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1

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