KEGG   DRUG: ZenarestatHelp
Entry
D03807                      Drug                                   

Name
Zenarestat (USAN/INN)
Formula
C17H11BrClFN2O4
Exact mass
439.9575
Mol weight
441.6356
Structure
Mol fileKCF fileDB search
Class
Antidiabetic agent
 DG01882  Aldose reductase inhibitor
Efficacy
Hypoglycemic, Aldose reductase inhibitor
Comment
Treatment of diabetic neuropathy
Target
AKR1B1 [HSA:231] [KO:K00011]
  Pathway
hsa00051  Fructose and mannose metabolism
hsa00052  Galactose metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    AKR1B1
     D03807  Zenarestat (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 112733-06-9
PubChem: 17397895
ChEMBL: CHEMBL10413
PDB-CCD: ZES[PDBj]
LigandBox: D03807
NIKKAJI: J248.078F
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8y C    31.6822  -18.9530
            2   C8y C    31.6822  -20.3518
            3   N4y N    32.8712  -18.2536
            4   C8x C    30.4933  -18.2536
            5   C8y C    32.8712  -21.0511
            6   C8x C    30.4933  -21.0511
            7   C8y C    34.0601  -18.9530
            8   C1b C    32.8712  -16.8549
            9   C8y C    29.2344  -18.9530
            10  N4y N    34.0601  -20.3518
            11  O5x O    32.8712  -22.4499
            12  C8x C    29.2344  -20.3518
            13  C6a C    34.0601  -16.1555
            14  O6a O    35.3190  -16.8549
            15  O6a O    34.0601  -14.7568
            16  C1b C    35.3190  -21.0511
            17  C8y C    36.5079  -20.3518
            18  C8y C    37.6968  -21.0511
            19  C8x C    38.9557  -20.3518
            20  C8y C    38.9557  -18.9530
            21  C8x C    37.6968  -18.2536
            22  C8x C    36.5079  -18.9530
            23  X   F    37.6968  -22.4499
            24  X   Br   40.1446  -18.2536
            25  X   Cl   28.0289  -18.2436
            26  O5x O    35.2743  -18.2585
BOND        28
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    8  13 1
            13   13  14 1
            14   13  15 2
            15    7  10 1
            16    9  12 1
            17   10  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   18  23 1
            26   20  24 1
            27    9  25 1
            28    7  26 2

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