| Entry |
|
|---|
| Name |
Binodenoson (USAN/INN) |
|---|
| Formula |
C17H25N7O4
|
|---|
| Exact mass |
391.1968
|
|---|
| Mol weight |
391.43
|
|---|
| Structure |
|
|---|
| Efficacy |
Vasodilator (coronary), Adenosine A2a receptor agonist |
|---|
| Comment |
Coronary vasodilator used in the diagnosis of coronary heart disease
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adenosine
ADORA2A
D03120 Binodenoson (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C1y C 30.1257 -14.8971
2 O2x O 28.9788 -14.0864
3 C1y C 27.8581 -14.9255
4 C1y C 28.3099 -16.2507
5 C1y C 29.7097 -16.2305
6 C8y C 32.5500 -15.5400
7 N5x N 32.5500 -16.9400
8 C8y C 33.7624 -17.6400
9 N5x N 34.9749 -16.9400
10 C8y C 34.9749 -15.5400
11 C8y C 33.7624 -14.8400
12 N5x N 33.4713 -13.4706
13 C8x C 32.0790 -13.3243
14 N4y N 31.5096 -14.6032
15 N1a N 36.2060 -14.8290
16 N1b N 33.7624 -19.0398
17 C1b C 26.5180 -14.5113
18 O1a O 27.4988 -17.4018
19 O1a O 30.5409 -17.3440
20 O1a O 25.5082 -15.4470
21 N2b N 34.9580 -19.7302
22 C2b C 36.1452 -19.0448
23 C1y C 37.3366 -19.7328
24 C1x C 37.3366 -21.1397
25 C1x C 38.5490 -21.8398
26 C1x C 39.7614 -21.1398
27 C1x C 39.7614 -19.7328
28 C1x C 38.5490 -19.0328
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 6 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 6 11 1
12 11 12 1
13 12 13 2
14 13 14 1
15 6 14 1
16 10 15 1
17 8 16 1
18 1 14 1 #Up
19 3 17 1 #Up
20 4 18 1 #Down
21 5 19 1 #Down
22 17 20 1
23 16 21 1
24 21 22 2
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
|
|---|
