Entry |
|
Name |
Buloxibutid sodium (USAN) |
Formula |
C23H28N3O4S2. Na
|
Exact mass |
497.1419
|
Mol weight |
497.61
|
Structure |

|
Remark |
|
Efficacy |
Angiotensin II receptor agonist |
Comment |
Treatment of Idiopathic pulmonary fibrosis
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
hsa04261 | Adrenergic signaling in cardiomyocytes |
|
Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Angiotensin
AGTR1
D13134 Buloxibutid sodium (USAN)
AGTR2
D13134 Buloxibutid sodium (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 33
1 C8y C 17.8703 -17.0994
2 C8x C 17.8703 -18.5010
3 C8x C 19.0617 -19.2018
4 C8y C 20.3231 -18.5010
5 C8x C 20.3231 -17.0994
6 C8x C 19.0617 -16.3986
7 C1b C 21.5145 -19.2018
8 N4y N 22.7058 -18.5010
9 C8x C 24.0373 -18.9215
10 C8x C 24.8082 -17.8002
11 N5x N 24.0373 -16.6790
12 C8x C 22.7058 -17.1695
13 C8y C 16.6790 -16.3986
14 C8y C 16.6790 -14.9270
15 S2x S 15.2774 -14.5065
16 C8y C 14.4364 -15.6278
17 C8x C 15.2774 -16.8191
18 C1b C 13.0348 -15.6278
19 S4a S 17.8703 -14.2262
20 N1b N 19.0617 -14.9270 #-
21 C7a C 20.2530 -14.2262
22 O7a O 21.4444 -14.9270
23 O6a O 20.2530 -12.8246
24 O3c O 16.8191 -13.2451
25 O3c O 18.5711 -13.0348
26 C1b C 22.7058 -14.2262
27 C1b C 23.8972 -14.9270
28 C1b C 25.0885 -14.2963
29 C1a C 26.2799 -14.9971
30 C1c C 12.3340 -14.4364
31 C1a C 10.9324 -14.4364
32 C1a C 13.0348 -13.2451
33 Z Na 22.4700 -12.8800 #+
BOND 34
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 8 12 1
14 1 13 1
15 13 14 2
16 14 15 1
17 15 16 1
18 16 17 2
19 13 17 1
20 16 18 1
21 19 20 1
22 19 14 1
23 20 21 1
24 21 22 1
25 21 23 2
26 19 24 2
27 19 25 2
28 22 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 18 30 1
33 30 31 1
34 30 32 1
|