Entry |
|
Name |
Cipemastat (USAN/INN); Trocade (TN) |
Formula |
C22H36N4O5
|
Exact mass |
436.2686
|
Mol weight |
436.54
|
Structure |
|
Efficacy |
Antirheumatic, Cartilaage protectant, Matrix metalloproteinase inhibitor |
Comment |
Cartilage protective agent in rheumatoid arthritis
|
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Metallo peptidases
MMP1
D03517 Cipemastat (USAN/INN)
MMP8
D03517 Cipemastat (USAN/INN)
MMP9
D03517 Cipemastat (USAN/INN)
MMP13
D03517 Cipemastat (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 31
1 C1x C 36.8208 -15.9074
2 N1y N 36.8208 -17.2390
3 C1x C 37.9739 -17.9048
4 C1x C 39.1272 -17.2390
5 C1x C 39.1272 -15.9074
6 C1x C 37.9739 -15.2416
7 C5a C 35.6676 -17.9048
8 C1c C 34.5304 -17.2481
9 O5a O 35.6675 -19.2362
10 C1c C 33.4011 -17.9001
11 C1b C 34.5303 -15.1753
12 C5a C 32.2680 -17.2458
13 N1b N 31.1367 -17.8989
14 O5a O 32.2680 -15.9077
15 O1b O 30.0047 -17.2452
16 C1y C 35.7212 -14.4878
17 C1x C 36.9832 -15.0499
18 C1x C 37.9077 -14.0233
19 C1x C 37.2172 -12.8268
20 C1x C 35.8658 -13.1138
21 C1b C 33.4011 -19.3200
22 N1y N 32.1804 -20.0249
23 C5x C 30.7804 -20.0249
24 C1z C 30.3478 -21.3564
25 N1y N 31.4804 -22.1793
26 C5x C 32.6130 -21.3564
27 O5x O 29.9621 -18.8984
28 O5x O 33.9489 -21.7905
29 C1a C 31.4803 -23.5899
30 C1a C 29.1353 -20.6564
31 C1a C 29.6478 -22.5688
BOND 33
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1
8 7 8 1
9 7 9 2
10 8 10 1
11 8 11 1 #Up
12 10 12 1
13 12 13 1
14 12 14 2
15 13 15 1
16 11 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 16 20 1
22 10 21 1 #Down
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 22 26 1
29 23 27 2
30 26 28 2
31 25 29 1
32 24 30 1
33 24 31 1
|