| Entry |
|
|---|
| Name |
Batimastat (USAN/INN) |
|---|
| Formula |
C23H31N3O4S2
|
|---|
| Exact mass |
477.1756
|
|---|
| Mol weight |
477.64
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Matrix metalloproteinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04670 | Leukocyte transendothelial migration |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Metallo peptidases
Family M10
MMP2
D03061 Batimastat (USAN/INN)
MMP9
D03061 Batimastat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C1a C 38.6400 -17.2900
2 N1b N 37.3800 -17.9900
3 C5a C 36.1900 -17.2900
4 C1c C 35.0000 -17.9900
5 N1b N 33.7400 -17.2900
6 C5a C 32.5500 -17.9900
7 C1c C 31.3600 -17.2900
8 C1c C 30.1000 -17.9900
9 C5a C 28.9100 -17.2900
10 N1b N 27.7200 -17.9900
11 O1b O 26.5300 -17.2900
12 O5a O 28.9100 -15.8900
13 C1b C 30.1000 -19.3900
14 C1b C 31.3600 -15.8900
15 O5a O 32.5500 -19.3900
16 C1b C 35.0000 -19.3900
17 O5a O 36.1900 -15.8900
18 C8y C 36.1900 -20.0900
19 C8x C 36.1900 -21.4900
20 C8x C 37.4500 -22.1900
21 C8x C 38.6400 -21.4900
22 C8x C 38.6400 -20.0900
23 C8x C 37.4500 -19.3900
24 C1c C 32.5500 -15.1900
25 C1a C 33.7400 -15.8900
26 C1a C 32.5500 -13.7900
27 S2a S 28.9100 -20.0900
28 C8y C 28.9100 -21.4900
29 C8x C 27.7900 -22.3300
30 C8x C 28.2100 -23.6600
31 C8x C 29.6100 -23.6600
32 S2x S 30.0300 -22.3300
BOND 33
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 9 12 2
12 8 13 1 #Down
13 7 14 1 #Up
14 6 15 2
15 4 16 1 #Down
16 3 17 2
17 16 18 1
18 18 19 2
19 19 20 1
20 20 21 2
21 21 22 1
22 22 23 2
23 18 23 1
24 14 24 1
25 24 25 1
26 24 26 1
27 13 27 1
28 27 28 1
29 28 29 2
30 29 30 1
31 30 31 2
32 31 32 1
33 28 32 1
|
|---|
