| Entry |
|
|---|
| Name |
Ibezapolstat (USAN) |
|---|
| Formula |
C18H20Cl2N6O2
|
|---|
| Exact mass |
422.1025
|
|---|
| Mol weight |
423.2964
|
|---|
| Structure |
|
|---|
| Efficacy |
Antibacterial, RNA polymerase inhibitor |
|---|
| Comment |
Treatment of Clostridiodes difficile infection
|
|---|
| Target |
DNA-directed RNA polymerase III [KO: K03026] |
|---|
| Pathway |
| ko04623 | Cytosolic DNA-sensing pathway |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C8y C 10.2200 -18.3400
2 C8x C 10.2200 -16.9400
3 C8x C 11.4100 -16.2400
4 C8y C 12.6700 -16.9400
5 C8x C 12.6700 -18.3400
6 C8y C 11.4100 -19.0400
7 X Cl 11.4100 -20.4400
8 X Cl 9.0300 -19.0400
9 C1b C 13.8600 -16.2400
10 N1b N 15.0500 -16.9400
11 C8y C 16.2400 -16.2400
12 N5x N 16.2400 -14.8400
13 C8y C 17.5000 -14.1400
14 C8y C 18.6900 -14.8400
15 C8y C 18.6900 -16.2400
16 N4x N 17.5000 -16.9400
17 N4y N 20.0200 -14.4200
18 C8x C 20.8600 -15.5400
19 N5x N 20.0200 -16.6600
20 O5x O 17.5000 -12.7400
21 C1b C 20.4400 -13.0900
22 C1b C 21.8400 -13.0900
23 N1y N 22.5400 -11.9000
24 C1x C 21.8400 -10.7100
25 C1x C 22.5400 -9.4500
26 O2x O 23.9400 -9.4500
27 C1x C 24.6400 -10.6400
28 C1x C 23.9400 -11.9000
BOND 31
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 6 7 1
8 1 8 1
9 4 9 1
10 9 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 11 16 1
18 14 17 1
19 17 18 1
20 18 19 2
21 15 19 1
22 13 20 2
23 17 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 23 28 1
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|---|
