| Entry |
|
|---|
| Name |
Temuterkib mesylate (USAN) |
|---|
| Formula |
C22H27N7O2S. CH4SO3
|
|---|
| Exact mass |
549.1828
|
|---|
| Mol weight |
549.6661
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CMGC group
ERK
D12060 Temuterkib mesylate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 37
1 C8y C 19.3350 -14.3095
2 C8y C 19.3350 -15.7055
3 C1z C 20.6612 -16.1243
4 N1y N 21.4988 -15.0075
5 C5x C 20.6612 -13.8907
6 C8x C 18.0088 -13.8907
7 C8y C 17.2409 -15.0075
8 S2x S 18.0088 -16.1243
9 C8y C 15.7751 -15.0075
10 C8x C 15.0771 -13.8209
11 C8x C 13.6811 -13.8209
12 N5x N 12.9831 -15.0075
13 C8y C 13.6811 -16.2639
14 N5x N 15.0771 -16.2639
15 N1b N 13.0529 -17.4505
16 C8y C 11.6568 -17.4505
17 C8x C 10.8192 -16.2639
18 C8x C 9.4232 -16.6827
19 N5x N 9.4232 -18.1486
20 N4y N 10.8192 -18.5674
21 C1a C 11.2380 -19.8936
22 O5x O 21.0800 -12.5645
23 C1a C 21.0800 -17.4505
24 C1a C 19.6840 -17.1015
25 C1b C 22.8949 -15.0075
26 C1b C 23.5929 -13.8209
27 N1y N 24.9889 -13.8209
28 C1x C 25.6869 -15.0773
29 C1x C 27.0829 -15.0075
30 O2x O 27.7810 -13.8209
31 C1x C 27.0829 -12.6343
32 C1x C 25.6869 -12.6343
33 S4a S 26.8800 -18.6900
34 C1a C 25.4800 -18.6900
35 O1d O 28.2800 -18.6900
36 O1d O 26.8800 -17.2900
37 O1d O 26.8800 -20.0900
BOND 40
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1
7 6 7 2
8 7 8 1
9 2 8 1
10 7 9 1
11 9 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 13 15 1
18 15 16 1
19 16 17 2
20 17 18 1
21 18 19 2
22 19 20 1
23 16 20 1
24 20 21 1
25 5 22 2
26 3 23 1
27 3 24 1
28 4 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 27 32 1
37 33 34 1
38 33 35 1
39 33 36 2
40 33 37 2
|
|---|
