| Entry |
|
|---|
| Name |
Gabexate (INN) |
|---|
| Formula |
C16H23N3O4
|
|---|
| Exact mass |
321.1689
|
|---|
| Mol weight |
321.37
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Blood modifier agent
DG01950 Antithrombotic agent
|
|---|
| Remark |
| Product (DG01400): | D01672<JP> |
|
|---|
| Efficacy |
Anticoagulant, Proteolytic enzyme inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04610 | Complement and coagulation cascades |
|
|---|
| Interaction |
|
|---|
| Structure map |
|
|---|
| Brite |
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01400 Gabexate
D08004 Gabexate
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Serine peptidases
KLKB1
D08004 Gabexate (INN)
KLK
D08004 Gabexate (INN)
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01400 Gabexate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C8y C 21.7700 -18.0600
2 O7a O 22.9600 -18.7600
3 C7a C 24.1500 -18.0600
4 C1b C 25.3400 -18.7600
5 C1b C 26.6000 -18.0600
6 C1b C 27.7900 -18.7600
7 C1b C 28.9800 -18.0600
8 C1b C 30.2400 -18.7600
9 N1b N 31.4300 -18.0600
10 C2c C 32.6200 -18.7600
11 N1a N 33.8800 -18.0600
12 N2a N 32.6200 -20.1600
13 O6a O 24.1500 -16.6600
14 C8x C 21.7700 -16.6600
15 C8x C 20.5100 -15.9600
16 C8y C 19.3200 -16.6600
17 C8x C 19.3200 -18.0600
18 C8x C 20.5100 -18.7600
19 C7a C 18.1300 -15.9600
20 O7a O 16.8700 -16.6600
21 C1b C 15.6800 -15.9600
22 C1a C 14.4900 -16.6600
23 O6a O 18.1300 -14.5600
BOND 23
1 6 7 1
2 7 8 1
3 3 4 1
4 1 14 2
5 14 15 1
6 15 16 2
7 16 17 1
8 17 18 2
9 18 1 1
10 8 9 1
11 16 19 1
12 1 2 1
13 19 20 1
14 9 10 1
15 20 21 1
16 4 5 1
17 21 22 1
18 10 11 1
19 19 23 2
20 10 12 2
21 5 6 1
22 3 13 2
23 2 3 1
|
|---|
