KEGG   DRUG: Alrestatin sodiumHelp
Entry
D02835                      Drug                                   

Name
Alrestatin sodium (USAN)
Formula
C14H8NO4. Na
Exact mass
277.0351
Mol weight
277.2074
Structure
Mol fileKCF fileDB search
Class
Antidiabetic agent
 DG01882  Aldose reductase inhibitor
Efficacy
Antidiabetic, Aldose reductase inhibitor
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
     D02835  Alrestatin sodium (USAN)
BRITE hierarchy
Other DBs
CAS: 51876-97-2
PubChem: 17396992
ChEMBL: CHEMBL2106598
DrugBank: DB02020
LigandBox: D02835
NIKKAJI: J13.101F
LinkDB All DBs
KCF data Show

ATOM        20
            1   Z   Na   27.3569  -16.3450 #+
            2   C8y C    20.7200  -18.7600
            3   C8x C    19.5076  -19.4600
            4   C8x C    19.5076  -20.8600
            5   C8x C    20.7200  -21.5600
            6   C8y C    21.9324  -20.8600
            7   C8y C    21.9324  -19.4600
            8   C8x C    23.1449  -21.5600
            9   C8x C    24.3573  -20.8600
            10  C8x C    24.3573  -19.4600
            11  C8y C    23.1449  -18.7600
            12  C5x C    23.1449  -17.3600
            13  N1y N    21.9324  -16.6600
            14  C5x C    20.7200  -17.3600
            15  O5x O    24.3573  -16.6600
            16  O6a O    24.3573  -15.2600 #-
            17  C6a C    23.1449  -14.5600
            18  C1b C    21.9324  -15.2600
            19  O5x O    19.5076  -16.6600
            20  O6a O    23.1449  -13.1600
BOND        21
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     6   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    7  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    2  14 1
            16   12  15 2
            17   16  17 1
            18   17  18 1
            19   18  13 1
            20   14  19 2
            21   17  20 2

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