| Entry |
|
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| Name |
Tozasertib lactate (USAN);
MK-0457 |
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| Formula |
C23H28N8OS. (C3H6O3)x
|
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| Structure |
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| Simcomp |
|
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| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
|
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| Remark |
|
|---|
| Efficacy |
Antineoplastic, Aurora kinase (serine/threonine kinase) inhibitor |
|---|
| Target |
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| Pathway |
|
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| Interaction |
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| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01365 Tozasertib
D08344 Tozasertib lactate
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
AGC group
AURK
D08344 Tozasertib lactate (USAN)
Receptor tyrosine kinases (RTK)
PDGFR family
FLT3 (CD135)
D08344 Tozasertib lactate (USAN)
Non-receptor tyrosine kinases
ABL family
BCR-ABL [HSA_VAR:25v1]
D08344 Tozasertib lactate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01365 Tozasertib
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 39
1 C8x C 10.5000 -19.1800
2 C8y C 10.5000 -20.5800
3 C8x C 11.6900 -21.2800
4 C8x C 12.9500 -20.5800
5 C8y C 12.9500 -19.1800
6 C8x C 11.6900 -18.4800
7 S2a S 14.1400 -18.4800
8 C8y C 15.3300 -19.1800
9 N5x N 15.3300 -20.5800
10 C8y C 16.5900 -21.2800
11 C8x C 17.7800 -20.5800
12 C8y C 17.7800 -19.1800
13 N5x N 16.5900 -18.4800
14 N1b N 18.9700 -18.4800
15 C8y C 20.1600 -19.1800
16 N1y N 16.5900 -22.6800
17 C1x C 15.4000 -23.3800
18 C1x C 15.4000 -24.7800
19 N1y N 16.5900 -25.4800
20 C1x C 17.7800 -24.7800
21 C1x C 17.7800 -23.3800
22 C1a C 16.5900 -26.8800
23 N1b N 9.3100 -21.2800
24 C5a C 8.1200 -20.5800
25 C1y C 6.8600 -21.2800
26 O5a O 8.1200 -19.1800
27 C1x C 5.5300 -21.2800
28 C1x C 6.2300 -22.4700
29 N5x N 20.5800 -20.5100
30 N4x N 21.9800 -20.5100
31 C8y C 22.4700 -19.1800
32 C8x C 21.2800 -18.3400
33 C1a C 23.7300 -18.7600
34 O1a O 27.9300 -21.4900
35 C1c C 29.1424 -22.1900
36 C6a C 30.3379 -21.4996
37 C1a C 29.1425 -23.5898
38 O6a O 31.5253 -22.1851
39 O6a O 30.3380 -20.0903
BOND 42
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 12 14 1
16 14 15 1
17 10 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 16 21 1
24 19 22 1
25 2 23 1
26 23 24 1
27 24 25 1
28 24 26 2
29 27 28 1
30 28 25 1
31 25 27 1
32 15 29 2
33 29 30 1
34 30 31 1
35 31 32 2
36 15 32 1
37 31 33 1
38 35 34 1 #Down
39 35 36 1
40 35 37 1
41 36 38 1
42 36 39 2
BRACKET 1 26.3200 -24.7800 26.3200 -19.3900
1 33.1800 -19.3900 33.1800 -24.7800
1 x
ORIGINAL 1 34 35 36 37 38 39
REPEAT 1
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