| Entry |
|
|---|
| Name |
Emzadirib (USAN) |
|---|
| Formula |
C27H40N4O6S2
|
|---|
| Exact mass |
580.2389
|
|---|
| Mol weight |
580.76
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Ubiquitin system
RAD51
D12558 Emzadirib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 39
1 C8x C 11.7600 -11.8300
2 C8y C 11.7600 -13.2300
3 C8x C 12.9724 -13.9300
4 C8y C 14.1849 -13.2300
5 C8y C 14.1849 -11.8300
6 C8x C 12.9724 -11.1300
7 N1b N 10.5476 -13.9300
8 C7a C 9.3521 -13.2396
9 O7a O 8.1647 -13.9251
10 C1c C 6.9735 -13.2371
11 C1a C 5.7840 -13.9238
12 C1a C 6.9735 -11.8303
13 O6a O 9.3520 -11.8303
14 S4a S 15.4160 -13.9410
15 N1b N 16.6284 -14.6410
16 O3c O 16.1160 -12.7286
17 O3c O 14.7160 -15.1535
18 C8y C 15.4160 -11.1190
19 S2x S 16.7441 -11.5216
20 C8y C 17.5397 -10.3820
21 N5x N 16.7018 -9.2733
22 C8x C 15.3883 -9.7276
23 C1y C 18.9700 -10.3556
24 C1x C 19.6943 -11.5581
25 C1x C 21.0940 -11.5322
26 C1y C 21.7715 -10.3070
27 C1x C 21.0472 -9.1045
28 C1x C 19.6474 -9.1304
29 N1b N 23.1700 -10.2811
30 C7a C 23.8963 -11.4869
31 O7a O 25.2699 -11.4613
32 O6a O 23.2159 -12.7178
33 C1c C 26.0007 -12.6742
34 C1a C 27.3698 -12.6484
35 C1a C 25.3185 -13.9092
36 C1d C 17.8692 -13.9245
37 C1a C 19.0696 -14.6175
38 C1a C 17.8691 -12.5301
39 C1a C 19.0648 -13.2341
BOND 41
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 2 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 10 12 1
13 8 13 2
14 4 14 1
15 14 15 1
16 14 16 2
17 14 17 2
18 5 18 1
19 18 19 1
20 19 20 1
21 20 21 2
22 21 22 1
23 18 22 2
24 23 20 1 #Down
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 23 28 1
31 26 29 1 #Up
32 29 30 1
33 30 31 1
34 30 32 2
35 31 33 1
36 33 34 1
37 33 35 1
38 15 36 1
39 36 37 1
40 36 38 1
41 36 39 1
|
|---|
