KEGG   DRUG: SorbinilHelp
Entry
D05893                      Drug                                   

Name
Sorbinil (USAN/INN)
Formula
C11H9FN2O3
Exact mass
236.0597
Mol weight
236.1992
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
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
     D05893  Sorbinil (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 68367-52-2
PubChem: 47207554
ChEMBL: CHEMBL266497
DrugBank: DB02712
PDB-CCD: SBI[PDBj]
LigandBox: D05893
NIKKAJI: J19.107H
LinkDB All DBs
KCF data Show

ATOM        17
            1   C8y C     8.7500  -18.2700
            2   C8x C     8.7500  -19.6700
            3   C8x C     9.9624  -20.3700
            4   C8y C    11.1749  -19.6700
            5   C8y C    11.1749  -18.2700
            6   C8x C     9.9624  -17.5700
            7   O2x O    12.3873  -20.3700
            8   C1x C    13.5997  -19.6700
            9   C1x C    13.5997  -18.2700
            10  C1z C    12.3873  -17.5700
            11  N1x N    13.5275  -16.7579
            12  C5x C    13.1073  -15.4225
            13  N1x N    11.7074  -15.4094
            14  C5x C    11.2624  -16.7369
            15  O5x O     9.8624  -16.7369
            16  O5x O    13.9453  -14.2916
            17  X   F     7.5376  -17.5700
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   10  11 1 #Up
            16   10  14 1 #Down
            17   14  15 2
            18   12  16 2
            19    1  17 1

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