| Entry |
|
|---|
| Name |
Siremadlin succinate (USAN) |
|---|
| Formula |
C26H24Cl2N6O4. C4H6O4
|
|---|
| Exact mass |
672.1502
|
|---|
| Mol weight |
673.50
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplasitc, MDM2 inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
E3 ubiquitin-protein ligase
MDM2
D12418 Siremadlin succinate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 46
1 C8y C 19.7426 -14.6841
2 C8y C 19.7426 -13.2789
3 C5x C 21.0775 -12.8574
4 N1y N 21.9206 -13.9815
5 C1y C 21.0775 -15.1056
6 N4y N 18.4077 -15.1056
7 C8y C 17.5646 -13.9815
8 N5x N 18.4077 -12.8574
9 C8y C 16.1595 -13.9815
10 C8x C 15.4569 -15.1759
11 N5x N 14.0518 -15.1759
12 C8y C 13.2789 -13.9815
13 N5x N 14.0518 -12.7871
14 C8y C 15.4569 -12.7871
15 O2a O 11.8738 -13.9815
16 C1a C 11.1712 -15.1759
17 O2a O 16.1595 -11.5927
18 C1a C 17.5646 -11.5927
19 C1c C 17.9862 -16.4405
20 C1a C 16.5810 -16.7215
21 C1a C 18.8995 -17.4944
22 C8y C 23.3257 -13.9815
23 O5x O 21.4990 -11.5225
24 C8y C 24.0283 -12.7871
25 N4y N 25.4335 -12.7871
26 C8x C 26.1360 -13.9815
27 C8y C 25.4335 -15.1759
28 C8x C 24.0283 -15.1759
29 C8y C 21.4990 -16.4405
30 C8x C 22.9042 -16.7215
31 C8x C 23.3257 -18.0564
32 C8y C 22.3421 -19.1103
33 C8x C 21.0072 -18.8293
34 C8x C 20.5857 -17.4944
35 X Cl 22.7637 -20.4452
36 O5x O 23.3257 -11.5927
37 C1a C 26.1360 -11.5927
38 X Cl 26.1360 -16.3702
39 C6a C 28.5600 -18.4100
40 C1b C 29.7724 -19.1100
41 O6a O 27.3476 -19.1100
42 O6a O 28.5600 -17.0100
43 C1b C 30.9679 -18.4196
44 C6a C 32.1553 -19.1051
45 O6a O 33.3465 -18.4171
46 O6a O 32.1555 -20.5098
BOND 49
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 1
8 7 8 2
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 12 15 1
18 15 16 1
19 14 17 1
20 17 18 1
21 6 19 1
22 19 20 1
23 19 21 1
24 4 22 1
25 3 23 2
26 22 24 1
27 24 25 1
28 25 26 1
29 26 27 2
30 27 28 1
31 22 28 2
32 5 29 1 #Up
33 29 30 2
34 30 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 29 34 1
39 32 35 1
40 24 36 2
41 25 37 1
42 27 38 1
43 39 40 1
44 39 41 1
45 39 42 2
46 40 43 1
47 43 44 1
48 44 45 1
49 44 46 2
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