| Entry |
|
|---|
| Name |
Seclidemstat (USAN/INN) |
|---|
| Formula |
C20H23ClN4O4S
|
|---|
| Exact mass |
450.1129
|
|---|
| Mol weight |
450.94
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Lysine demethylase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Histone demethylase
KDM1A (LSD1)
D12577 Seclidemstat (USAN/INN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 N1y N 10.0800 -17.2900
2 C1x C 10.0800 -15.8900
3 C1x C 11.2700 -15.1900
4 N1y N 12.5300 -15.8900
5 C1x C 12.5300 -17.2900
6 C1x C 11.2700 -17.9900
7 S4a S 13.7200 -15.1900
8 C8y C 14.9100 -15.8900
9 C8x C 16.1000 -15.1900
10 C8y C 17.3600 -15.8900
11 C8x C 17.3600 -17.2900
12 C8x C 16.1700 -17.9900
13 C8x C 14.9100 -17.2900
14 C5a C 18.5500 -15.1900
15 N1b N 19.7400 -15.8900
16 N2b N 20.9300 -15.1900
17 C2c C 22.1200 -15.8900
18 C8y C 23.3100 -15.1900
19 C1a C 22.1200 -17.2900
20 C8y C 23.3100 -13.7900
21 C8x C 24.5700 -13.0900
22 C8x C 25.7600 -13.7900
23 C8y C 25.7600 -15.1900
24 C8x C 24.5700 -15.8900
25 X Cl 26.9500 -15.8900
26 O1a O 22.1200 -13.0900
27 O5a O 18.5500 -13.7900
28 O3c O 13.0200 -14.0000
29 O3c O 14.4200 -14.0000
30 C1a C 8.8900 -17.9900
BOND 32
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 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 10 14 1
16 14 15 1
17 15 16 1
18 16 17 2
19 17 18 1
20 17 19 1
21 18 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 18 24 1
27 23 25 1
28 20 26 1
29 14 27 2
30 7 28 2
31 7 29 2
32 1 30 1
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