Entry |
|
Name |
Govorestat (USAN/INN) |
Formula |
C17H10F3N3O3S2
|
Exact mass |
425.0116
|
Mol weight |
425.4048
|
Structure |
|
Class |
Antidiabetic agent
DG01882 Aldose reductase inhibitor
|
Efficacy |
Aldose reductase inhibitor |
Target |
|
Pathway |
hsa00051 | Fructose and mannose metabolism |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Antidiabetic agent
DG01882 Aldose reductase inhibitor
D12384 Govorestat
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
AKR1B1
D12384 Govorestat (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 28
1 C8y C 8.0500 -26.0400
2 C8y C 8.0500 -27.4400
3 C8y C 9.2624 -28.1400
4 N4y N 10.4749 -27.4400
5 N5x N 10.4749 -26.0400
6 C8y C 9.2624 -25.3400
7 C8x C 6.7185 -25.6074
8 S2x S 5.8956 -26.7400
9 C8x C 6.7185 -27.8726
10 O5x O 9.2624 -29.5398
11 C1b C 9.2624 -23.9402
12 C6a C 10.4580 -23.2498
13 O6a O 11.6452 -23.9352
14 O6a O 10.4582 -21.8403
15 C1b C 11.7060 -28.1510
16 C8y C 12.9112 -27.4553
17 S2x S 14.1584 -28.0107
18 C8y C 15.0720 -26.9961
19 C8y C 14.3894 -25.8137
20 N5x N 13.0539 -26.0975
21 C8x C 16.4720 -26.9962
22 C8x C 17.1721 -25.7838
23 C8y C 16.4895 -24.6013
24 C8x C 15.0895 -24.6013
25 C1d C 17.2104 -23.3521
26 X F 17.9104 -22.1396
27 X F 15.9980 -22.6521
28 X F 18.4228 -24.0521
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 2
8 7 8 1
9 8 9 1
10 2 9 2
11 3 10 2
12 6 11 1
13 11 12 1
14 12 13 1
15 12 14 2
16 4 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 16 20 2
23 18 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 19 24 2
28 23 25 1
29 25 26 1
30 25 27 1
31 25 28 1
|