Entry |
|
Name |
Pobilukast edamine (USAN) |
Formula |
C26H34O5S. C2H8N2. H2O
|
Exact mass |
536.2920
|
Mol weight |
536.73
|
Structure |

|
Class |
Anti-allergic agent
DG01541 Cysteinyl leukotriene receptor antagonist
|
Efficacy |
Antiasthmatic, Leukotriene receptor antagonist |
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Brite |
Drug groups [BR:br08330]
Anti-allergic agent
DG01541 Cysteinyl leukotriene receptor antagonist
D02848 Pobilukast edamine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cysteinyl leukotriene
CYSLTR1
D02848 Pobilukast edamine (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 37
1 C8x C 7.3285 -24.5585
2 C8x C 7.3285 -25.9624
3 C8x C 8.5444 -26.6645
4 C8x C 9.7604 -25.9624
5 C8y C 9.7604 -24.5585
6 C8y C 8.5444 -23.8565
7 C1b C 11.0014 -23.8565
8 C1b C 12.2175 -24.5585
9 C1b C 13.4334 -23.8565
10 C1b C 14.6492 -24.5585
11 C1b C 15.8652 -23.8565
12 C1b C 17.0812 -24.5585
13 C1b C 18.2971 -23.8565
14 C1b C 19.5002 -24.5512
15 C8y C 20.6929 -23.8625
16 C8x C 21.8867 -24.5519
17 C8x C 23.1028 -23.8499
18 C8x C 23.1029 -22.4459
19 C8x C 21.9090 -21.7565
20 C8x C 20.6930 -22.4584
21 C1c C 8.5444 -22.4524
22 C1c C 7.3116 -21.7407
23 O1a O 6.1042 -22.4377
24 C6a C 7.3118 -20.3464
25 S2a S 9.7433 -21.7600
26 C1b C 9.7433 -20.3559
27 C1b C 10.9422 -19.6635
28 C6a C 10.9422 -18.2594
29 O6a O 12.1408 -17.5668
30 O6a O 9.6928 -17.5383
31 O6a O 6.1084 -19.6513
32 O6a O 8.4932 -19.6650
33 N1a N 24.3294 -19.2377
34 C1b C 25.5454 -18.5356
35 C1b C 26.7614 -19.2377
36 N1a N 27.9773 -18.5356
37 O0 O 27.2297 -23.2399
BOND 36
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 6 21 1
23 21 22 1
24 22 23 1 #Up
25 22 24 1
26 21 25 1 #Down
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 28 30 2
32 24 31 1
33 24 32 2
34 33 34 1
35 34 35 1
36 35 36 1
|