| Entry |
|
|---|
| Name |
Ezatiostat hydrochloride (USAN) |
|---|
| Formula |
C27H35N3O6S. HCl
|
|---|
| Exact mass |
565.2013
|
|---|
| Mol weight |
566.1092
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Glutathione S-transferase inhibitor |
|---|
| Comment |
Treatment of disorders of bone marrow cellular growth and differentiation
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Alkyl/Aryl transferases
GSTP1
D08917 Ezatiostat hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C1a C 17.0057 -14.6250
2 C1b C 18.2177 -15.3247
3 O7a O 19.4298 -14.6250
4 C7a C 20.6418 -15.3247
5 C1c C 21.8538 -14.6250
6 C1b C 23.0659 -15.3247
7 C1b C 24.2779 -14.6250
8 C5a C 25.4899 -15.3247
9 N1b N 26.7020 -14.6250
10 C1c C 27.9140 -15.3247
11 C5a C 29.1261 -14.6250
12 N1b N 30.3381 -15.3247
13 C1c C 31.5501 -14.6250
14 C7a C 32.7621 -15.3247
15 O7a O 33.9741 -14.6250
16 C1b C 35.1861 -15.3247
17 C1a C 36.3982 -14.6250
18 O6a O 20.6418 -16.7243
19 N1a N 21.8538 -13.2255
20 O5a O 25.4899 -16.7242
21 O5a O 29.1261 -13.2255
22 O6a O 32.7621 -16.7243
23 C1b C 27.9140 -16.7243
24 C8y C 31.5501 -13.2254
25 C8x C 32.7701 -12.5210
26 C8x C 32.7701 -11.1214
27 C8x C 31.5580 -10.4218
28 C8x C 30.3380 -11.1262
29 C8x C 30.3381 -12.5258
30 S2a S 29.1321 -17.4275
31 C1b C 29.1321 -18.8270
32 C8y C 30.3441 -19.5268
33 C8x C 30.3442 -20.9225
34 C8x C 31.5562 -21.6223
35 C8x C 32.7682 -20.9224
36 C8x C 32.7681 -19.5267
37 C8x C 31.5560 -18.8269
38 X Cl 41.2300 -16.1700
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 4 18 2
18 5 19 1 #Up
19 8 20 2
20 11 21 2
21 14 22 2
22 10 23 1 #Down
23 13 24 1 #Down
24 24 25 2
25 25 26 1
26 26 27 2
27 27 28 1
28 28 29 2
29 24 29 1
30 23 30 1
31 30 31 1
32 31 32 1
33 32 33 2
34 33 34 1
35 34 35 2
36 35 36 1
37 36 37 2
38 32 37 1
|
|---|
