| Entry |
|
|---|
| Name |
Zilurgisertib (USAN/INN) |
|---|
| Formula |
C30H38N4O3
|
|---|
| Exact mass |
502.2944
|
|---|
| Mol weight |
502.65
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
ALK2 protein activity inhibitor |
|---|
| Comment |
Treatment of fibrodysplasia ossificans progressiva; Treatment of anemia due to myeloproliferative or myelodysplatic hematological disorders
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
| hsa04550 | Signaling pathways regulating pluripotency of stem cells |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor serine/threonine kinases (RSTK)
TGFBR1 family
ACVR1 (ALK2)
D12547 Zilurgisertib (USAN/INN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 37
1 O2x O 5.6000 -10.7100
2 C1x C 5.6000 -12.1100
3 C1x C 6.7900 -12.8100
4 C1y C 8.0500 -12.1100
5 C1x C 8.0500 -10.7100
6 C1x C 6.7900 -10.0100
7 N1y N 9.2400 -12.8100
8 C1x C 9.3800 -14.2100
9 C1y C 10.7100 -14.4900
10 C1z C 11.4800 -13.3000
11 C1x C 10.5000 -12.2500
12 C1x C 12.1800 -14.4900
13 C8x C 12.6700 -11.2000
14 C8y C 12.6700 -12.6000
15 C8x C 13.8600 -13.3000
16 C8x C 15.1200 -12.6000
17 C8y C 15.1200 -11.2000
18 C8x C 13.8600 -10.5000
19 C8y C 16.3266 -10.4900
20 C8x C 17.5363 -11.1753
21 C8y C 18.7430 -10.4655
22 C8y C 18.7316 -9.0655
23 N5x N 17.5219 -8.3802
24 C8x C 16.3152 -9.0901
25 N1a N 19.9436 -8.3523
26 C5a C 19.9889 -11.1707
27 O5a O 21.2049 -10.4544
28 N1b N 20.0006 -12.5999
29 C1z C 21.2334 -13.2984
30 C1x C 21.2447 -14.6996
31 C1x C 22.4628 -15.3897
32 C1z C 23.6695 -14.6799
33 C1x C 23.6582 -13.2787
34 C1x C 22.4401 -12.5886
35 O1a O 24.8889 -15.3707
36 C1x C 21.9334 -14.5108
37 C1x C 22.9695 -13.4675
BOND 43
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 7 11 1
13 9 12 1
14 12 10 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 10 14 1 #Up
22 17 19 1
23 19 20 2
24 20 21 1
25 21 22 2
26 22 23 1
27 23 24 2
28 19 24 1
29 22 25 1
30 21 26 1
31 26 27 2
32 26 28 1
33 28 29 1
34 29 30 1
35 30 31 1
36 31 32 1
37 32 33 1
38 33 34 1
39 29 34 1
40 32 35 1
41 29 36 1
42 32 37 1
43 37 36 1
|
|---|
