KEGG   DRUG: Incadronic acidHelp
Entry
D08073                      Drug                                   

Name
Incadronic acid (INN)
Formula
C8H19NO6P2
Exact mass
287.0688
Mol weight
287.1871
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01600  Bisphosphonate
Remark
Chemical structure group: DG01266
Efficacy
Antiresorptive, Farnesylpyrophosphate synthetase inhibitor
Comment
Bisphosphonate
Target
FDPS [HSA:2224] [KO:K00787]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FDPS
     D08073  Incadronic acid (INN)
BRITE hierarchy
Other DBs
CAS: 124351-85-5
PubChem: 51092065
ChEMBL: CHEMBL53950
LigandBox: D08073
LinkDB All DBs
KCF data Show

ATOM        17
            1   C1x C    21.9883   -8.5934
            2   C1x C    23.0850   -7.7298
            3   C1x C    24.4503   -8.0412
            4   C1y C    25.0521   -9.2943
            5   C1x C    21.9883  -10.0023
            6   C1x C    24.4512  -10.5615
            7   C1x C    23.0850  -10.8731
            8   N1b N    26.4579   -9.2908
            9   C1c C    27.1688  -10.5147
            10  P1b P    28.5578  -10.5111
            11  P1b P    26.4762  -11.7213
            12  O1c O    25.7763  -12.9336
            13  O1c O    25.2639  -11.0214
            14  O1c O    27.6885  -12.4213
            15  O1c O    29.9577  -10.5111
            16  O1c O    28.5578   -9.1112
            17  O1c O    28.5578  -11.9110
BOND        17
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     4   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 1
            12   11  12 1
            13   11  13 1
            14   11  14 2
            15   10  15 1
            16   10  16 1
            17   10  17 2

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