| Entry |
|
|---|
| Name |
Subasumstat (USAN/INN) |
|---|
| Formula |
C25H28ClN5O5S2
|
|---|
| Exact mass |
577.1220
|
|---|
| Mol weight |
578.11
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Sumoylation inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Ligases (EC6)
Ubiquitin activating enzyme
UBLE1
D12268 Subasumstat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C8y C 11.7600 -18.6900
2 C8x C 11.7600 -20.0900
3 C8x C 12.9724 -20.7900
4 C8y C 14.1849 -20.0900
5 C8y C 14.1849 -18.6900
6 C8x C 12.9724 -17.9900
7 C1x C 15.3973 -20.7900
8 C1x C 16.6097 -20.0900
9 N1x N 16.6097 -18.6900
10 C1y C 15.3973 -17.9900
11 C8y C 15.3973 -16.5900
12 C8y C 16.5317 -15.7658
13 S2x S 16.0984 -14.4323
14 C8y C 14.6962 -14.4323
15 C8x C 14.2629 -15.7658
16 C5a C 13.8688 -13.2935
17 C8y C 12.4671 -13.3008
18 O5a O 14.4966 -12.0531
19 C8y C 11.7586 -12.0884
20 N5x N 10.3586 -12.0957
21 C8x C 9.6650 -13.3118
22 N5x N 10.3735 -14.5242
23 C8x C 11.7734 -14.5169
24 N1b N 12.4434 -10.8881
25 C1y C 11.7551 -9.7104
26 C1x C 12.1927 -8.3985
27 C1y C 11.0803 -7.5752
28 C1y C 9.9535 -8.3787
29 C1x C 10.3695 -9.6986
30 O1a O 8.6204 -7.9323
31 C1b C 11.0931 -6.1604
32 O2a O 12.2867 -5.4852
33 S4a S 13.5059 -6.2040
34 N1a N 14.7184 -6.9040
35 O3c O 12.8059 -7.4165
36 O3c O 14.2059 -4.9916
37 C1a C 17.8479 -16.1934
38 X Cl 10.5476 -17.9900
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 1
16 14 15 2
17 11 15 1
18 14 16 1
19 16 17 1
20 16 18 2
21 17 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 17 23 1
27 19 24 1
28 25 24 1 #Up
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 25 29 1
34 28 30 1 #Down
35 27 31 1 #Up
36 31 32 1
37 32 33 1
38 33 34 1
39 33 35 2
40 33 36 2
41 12 37 1
42 1 38 1
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|---|
