| Entry |
|
|---|
| Name |
Cilengitide (USAN/INN) |
|---|
| Formula |
C27H40N8O7
|
|---|
| Exact mass |
588.302
|
|---|
| Mol weight |
588.6559
|
|---|
| Structure |
|
|---|
| Efficacy |
Angiogenesis inhibitor, Integrin antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04810 | Regulation of actin cytoskeleton |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Cell surface molecules and ligands
Cell adhesion molecules: other families
Integrins
ITGAV-ITGB3/ITGB5
D03497 Cilengitide (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 42
1 C1x C 17.7800 -12.2500
2 N1x N 17.7800 -13.6500
3 N1x N 20.2049 -12.2500
4 C5x C 18.9924 -11.5500
5 C5x C 16.5676 -14.3500
6 C1y C 16.5676 -15.7500
7 N1x N 17.7800 -16.4500
8 C5x C 17.7800 -17.8500
9 C1y C 18.9924 -18.5500
10 N1y N 20.2049 -17.8500
11 C5x C 20.2049 -16.4500
12 C1y C 21.4360 -15.7390
13 N1x N 21.4357 -14.3501
14 O5x O 18.9924 -10.1502
15 O5x O 15.3721 -13.6596
16 O5x O 16.5676 -18.5500
17 O5x O 19.0114 -15.7608
18 C1b C 15.3721 -16.4404
19 C1b C 14.1847 -15.7549
20 C1b C 12.9935 -16.4429
21 N1b N 11.8040 -15.7562
22 C2c C 10.6139 -16.4435
23 N1a N 9.4238 -15.7565
24 N2a N 10.6139 -17.8498
25 C1c C 18.9924 -19.9498
26 C1a C 17.7632 -20.6597
27 C1a C 20.1880 -20.6402
28 C1a C 21.4360 -18.5610
29 C1b C 22.9912 -16.7846
30 C8y C 24.1735 -16.1018
31 C8x C 25.3675 -16.7912
32 C8x C 26.5799 -16.0911
33 C8x C 26.5799 -14.6911
34 C8x C 25.3859 -14.0018
35 C8x C 24.1735 -14.7018
36 C1y C 21.4360 -11.5390
37 C5x C 22.6362 -13.6566
38 O5x O 23.9610 -14.0171
39 C1b C 21.7996 -10.2024
40 C6a C 23.1213 -9.8539
41 O6a O 24.1045 -10.8451
42 O6a O 23.4832 -8.5235
BOND 43
1 1 2 1
2 3 4 1
3 1 4 1
4 2 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 11 12 1
12 12 13 1
13 4 14 2
14 5 15 2
15 8 16 2
16 11 17 2
17 6 18 1 #Up
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 22 24 2
24 9 25 1 #Up
25 25 26 1
26 25 27 1
27 10 28 1
28 12 29 1 #Down
29 29 30 1
30 30 31 2
31 31 32 1
32 32 33 2
33 33 34 1
34 34 35 2
35 30 35 1
36 3 36 1
37 13 37 1
38 36 37 1
39 37 38 2
40 36 39 1 #Up
41 39 40 1
42 40 41 1
43 40 42 2
|
|---|
