| Entry |
|
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| Name |
Fasudil (INN)
|
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| Formula |
C14H17N3O2S
|
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| Exact mass |
291.1041
|
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| Mol weight |
291.3687
|
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| Structure |
     |
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| Activity |
Calcium antagonist
|
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| Remark |
|
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| Target |
Rho-associated protein kinase (ROCK) inhibitor [HSA: 6093 9475] [KO: K04514] |
|---|
| Pathway |
hsa04810 Regulation of actin cytoskeleton | |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C04 PERIPHERAL VASODILATORS
C04A PERIPHERAL VASODILATORS
C04AX Other peripheral vasodilators
C04AX32 Fasudil
D07941 Fasudil (INN)
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine protein kinases: AGC group
DMPK family
rho-associated protein kinase (ROCK) [HSA:6093 9475] [KO:K04514]
Fasudil [ATC:C04AX32]
D07941 Fasudil (INN)
 |
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| Other DBs |
CAS: 103745-39-7 PubChem: DrugBank: PDB-CCD: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 20
1 C1x C 21.7000 -16.6600
2 C1x C 20.8600 -15.5400
3 C1x C 21.1400 -14.1400
4 N1x N 22.4700 -13.5800
5 N1y N 23.1000 -16.6600
6 C1x C 23.6600 -14.2100
7 C1x C 24.0100 -15.5400
8 S4a S 23.1000 -18.0600
9 C8y C 23.1000 -19.4600
10 O3c O 24.5000 -18.0600
11 O3c O 21.7000 -18.0600
12 C8x C 21.9100 -20.1600
13 C8x C 21.9100 -21.5600
14 C8x C 23.1000 -22.2600
15 C8y C 24.2900 -21.5600
16 C8y C 24.2900 -20.1600
17 C8x C 25.5500 -22.2600
18 N5x N 26.7400 -21.5600
19 C8x C 26.7400 -20.1600
20 C8x C 25.5500 -19.4600
BOND 22
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 5 8 1
9 8 9 1
10 8 10 2
11 8 11 2
12 9 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 9 16 1
18 15 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 16 20 1
|
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