KEGG   DRUG: Zoledronic acid hemipentahydrate
Entry
D10515                      Drug                                   

Name
Zoledronic acid hemipentahydrate (JAN)
Formula
(C5H10N2O7P2)2. 5H2O
Exact mass
634.0455
Mol weight
634.2556
Structure
Class
Other
 DG01600  Bisphosphonate
Remark
ATC code: M05BA08
Chemical structure group: DG00787
Product (DG00787): D01968<JP/US>
Efficacy
Antiresorptive, Farnesylpyrophosphate synthetase inhibitor
Comment
Bisphosphonate
Target
FDPS [HSA:2224] [KO:K00787]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Interaction
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
      D10515  Zoledronic acid hemipentahydrate (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FDPS
     D10515  Zoledronic acid hemipentahydrate (JAN)
Other DBs
PubChem: 172232608
LinkDB
KCF data

ATOM        37
            1   C1d C    20.6500  -17.6400
            2   P1b P    21.9100  -18.2700
            3   P1b P    19.5300  -18.2700
            4   C1b C    20.6500  -16.3100
            5   O1c O    18.3400  -17.6400
            6   O1c O    19.5300  -19.6700
            7   O1c O    17.9900  -19.2500
            8   O1c O    23.0300  -17.6400
            9   O1c O    21.9100  -19.6700
            10  O1c O    23.0300  -18.9700
            11  O1a O    20.6500  -19.0400
            12  N4y N    21.8400  -15.6100
            13  C8x C    23.1700  -16.0300
            14  N5x N    24.0100  -14.9100
            15  C8x C    23.1700  -13.7900
            16  C8x C    21.8400  -14.2100
            17  O0  O    30.4500  -18.2000
            18  C1d C    20.6500  -17.6400
            19  P1b P    21.9100  -18.2700
            20  O1c O    23.0300  -17.6400
            21  O1c O    21.9100  -19.6700
            22  O1c O    23.0300  -18.9700
            23  P1b P    19.5300  -18.2700
            24  O1c O    18.3400  -17.6400
            25  O1c O    19.5300  -19.6700
            26  O1c O    17.9900  -19.2500
            27  C1b C    20.6500  -16.3100
            28  N4y N    21.8400  -15.6100
            29  C8x C    23.1700  -16.0300
            30  N5x N    24.0100  -14.9100
            31  C8x C    23.1700  -13.7900
            32  C8x C    21.8400  -14.2100
            33  O1a O    20.6500  -19.0400
            34  O0  O    30.4500  -18.2000
            35  O0  O    30.4500  -18.2000
            36  O0  O    30.4500  -18.2000
            37  O0  O    30.4500  -18.2000
BOND        32
            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
            17   18  19 1
            18   18  23 1
            19   18  27 1
            20   23  24 2
            21   23  25 1
            22   23  26 1
            23   19  20 2
            24   19  21 1
            25   19  22 1
            26   18  33 1
            27   27  28 1
            28   28  29 1
            29   29  30 2
            30   30  31 1
            31   31  32 2
            32   28  32 1
BRACKET     1    15.5400  -20.9300   15.5400  -12.6700
            1    24.7100  -12.6700   24.7100  -20.9300
            1  2
 ORIGINAL  1    1   2   8   9  10   3   5   6   7   4  12  13  14  15  16  11
 REPEAT    1   18  19  20  21  22  23  24  25  26  27  28  29  30  31  32  33
            2    28.2100  -18.9700   28.2100  -17.2200
            2    31.1500  -17.2200   31.1500  -18.9700
            2  5
 ORIGINAL  2   17
 REPEAT    2   34  35  36  37

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