| Entry |
|
|---|
| Name |
Muvalaplin (USAN) |
|---|
| Formula |
C42H54N4O6
|
|---|
| Exact mass |
710.4043
|
|---|
| Mol weight |
710.90
|
|---|
| Structure |
|
|---|
| Efficacy |
Lipoprotein (a) inhibitor |
|---|
| Comment |
To decrease Lipoprotein (a) levels, thus decreasing the risk of atherosclerotic cardiovascular disease
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Serine peptidases
Chymotrypsin family
LPA
D12460 Muvalaplin (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 52
1 N1c N 13.6500 -16.3800
2 C1b C 15.0500 -16.3800
3 C1b C 12.9500 -15.1676
4 C1b C 12.9500 -17.5924
5 C8y C 15.7500 -15.1676
6 C8y C 13.6404 -18.7879
7 C8y C 11.5500 -15.1676
8 C8x C 10.8596 -13.9721
9 C8y C 9.4596 -13.9722
10 C8x C 8.7597 -15.1847
11 C8x C 9.4501 -16.3802
12 C8x C 10.8501 -16.3801
13 C8x C 17.1498 -15.1676
14 C8y C 17.8498 -13.9551
15 C8x C 17.1498 -12.7427
16 C8x C 15.7500 -12.7427
17 C8x C 15.0500 -13.9551
18 C8x C 12.9549 -19.9753
19 C8y C 13.6550 -21.1877
20 C8x C 15.0550 -21.1876
21 C8x C 15.7404 -20.0003
22 C8x C 15.0404 -18.7879
23 C1b C 12.9440 -22.4190
24 C1c C 13.6373 -23.6197
25 C6a C 15.0497 -23.6199
26 C1y C 12.9359 -24.8000
27 O6a O 15.7631 -22.3852
28 O6a O 15.7367 -24.8100
29 C1x C 11.8112 -23.9656
30 C1x C 10.6701 -24.7775
31 N1x N 11.0896 -26.1136
32 C1x C 12.4900 -26.1275
33 C1b C 19.2498 -13.9551
34 C1c C 19.9609 -12.7239
35 C1y C 21.3499 -12.7242
36 C6a C 19.2653 -11.5189
37 O6a O 17.8504 -11.5184
38 O6a O 19.9483 -10.3366
39 C1x C 22.1801 -13.8673
40 C1x C 23.5239 -13.4310
41 N1x N 23.5241 -12.0182
42 C1x C 22.1805 -11.5814
43 C1b C 8.7689 -12.7768
44 C1c C 7.3504 -12.7769
45 C1y C 6.6644 -11.5894
46 C6a C 6.6359 -14.0142
47 O6a O 5.2501 -14.0139
48 O6a O 7.3331 -15.2220
49 C1x C 7.2197 -10.3412
50 C1x C 6.2042 -9.4273
51 N1x N 5.0212 -10.1107
52 C1x C 5.3056 -11.4469
BOND 57
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 4 6 1
6 3 7 1
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 5 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 5 17 1
19 6 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 6 22 1
25 19 23 1
26 24 23 1 #Down
27 24 25 1
28 24 26 1
29 25 27 2
30 25 28 1
31 26 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 26 32 1
36 14 33 1
37 34 33 1 #Down
38 34 35 1
39 34 36 1
40 36 37 2
41 36 38 1
42 35 39 1
43 39 40 1
44 40 41 1
45 41 42 1
46 35 42 1
47 9 43 1
48 44 43 1 #Down
49 44 45 1
50 44 46 1
51 46 47 1
52 46 48 2
53 45 49 1
54 49 50 1
55 50 51 1
56 51 52 1
57 45 52 1
|
|---|
