KEGG   DRUG: Zoledronic acid
Entry
D08689                      Drug                                   
Name
Zoledronic acid (INN);
Zometa (TN);
Reclast (TN)
Formula
C5H10N2O7P2
Exact mass
271.9963
Mol weight
272.0896
Structure
Simcomp
Class
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
  DG01600  Bisphosphonate
Remark
ATC code: M05BA08
Chemical structure group: DG00787
Product (DG00787): D01968<JP/US>
Efficacy
Antihypercalcemia, Antiresorptive, Farnesylpyrophosphate synthetase inhibitor
Comment
Bisphosphonate
Target
FDPS [HSA:2224] [KO:K00787]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
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
     M05BA08 Zoledronic acid
      D08689  Zoledronic acid (INN)
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00787  Zoledronic acid
     D08689  Zoledronic acid
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FDPS
     D08689  Zoledronic acid (INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08689
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00787  Zoledronic acid
Other DBs
CAS: 118072-93-8
PubChem: 96025372
ChEBI: 46557
PDB-CCD: ZOL[PDBj]
LigandBox: D08689
NIKKAJI: J556.181G
KCF data

ATOM        16
            1   C1d C    22.9600  -23.8700
            2   P1b P    24.1500  -24.5000
            3   P1b P    21.7700  -24.5000
            4   C1b C    22.9600  -22.5400
            5   O1c O    20.5800  -23.8700
            6   O1c O    21.7700  -25.9000
            7   O1c O    20.2300  -25.4800
            8   O1c O    25.2700  -23.8700
            9   O1c O    24.1500  -25.9000
            10  O1c O    25.2700  -25.2000
            11  O1a O    22.9600  -25.2700
            12  N4y N    24.1724  -21.8400
            13  C8x C    25.4972  -22.2207
            14  N5x N    26.2717  -21.0791
            15  C8x C    25.4253  -19.9898
            16  C8x C    24.1278  -20.4582
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     3   5 2
            5     3   6 1
            6     3   7 1
            7     2   8 2
            8     2   9 1
            9     2  10 1
            10    1  11 1
            11    4  12 1
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   12  16 1

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Ontology (4)   
   KEGG BRITE (4)   
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (15)   

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