| Entry |
|
|---|
| Name |
Tarazepide (INN) |
|---|
| Formula |
C28H24N4O2
|
|---|
| Exact mass |
448.1899
|
|---|
| Mol weight |
448.5158
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Antispasmodic, Cholecystokinin receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Structure map |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cholecystokinin
CCKAR
D02710 Tarazepide (INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 34
1 C8y C 25.3987 -5.6314
2 N1y N 26.6609 -5.0352
3 C5x C 27.9220 -5.6446
4 C1y C 28.2279 -7.0007
5 C8y C 25.0832 -7.0046
6 N2x N 27.3584 -8.1012
7 C2y C 25.9570 -8.0989
8 O5x O 29.0107 -4.7800
9 C8x C 24.3738 -4.6777
10 C8x C 23.0354 -5.0884
11 C8x C 22.7199 -6.4616
12 C8x C 23.7448 -7.4153
13 C8y C 25.3430 -9.3717
14 C8x C 23.9430 -9.3717
15 C8x C 23.2430 -10.5842
16 C8x C 23.9430 -11.7966
17 C8x C 25.3430 -11.7966
18 C8x C 26.0430 -10.5842
19 C1a C 26.6672 -3.6400
20 N1b N 29.4224 -7.7000
21 C5a C 30.6349 -7.0000
22 C8y C 31.8473 -7.7000
23 O5a O 30.6349 -5.6002
24 N4y N 31.9937 -9.0926
25 C8y C 33.3634 -9.3837
26 C8y C 34.0635 -8.1711
27 C8x C 33.1265 -7.1305
28 C8y C 34.0634 -10.5962
29 C8x C 35.4634 -10.5962
30 C8x C 36.1635 -9.3835
31 C8x C 35.4635 -8.1711
32 C1x C 31.2634 -10.5962
33 C1x C 31.9634 -11.8086
34 C1x C 33.3634 -11.8086
BOND 39
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 2
8 3 8 2
9 1 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 5 12 1
14 7 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 2 19 1
22 4 20 1 #Up
23 20 21 1
24 21 22 1
25 21 23 2
26 22 24 1
27 24 25 1
28 25 26 2
29 26 27 1
30 22 27 2
31 25 28 1
32 28 29 2
33 29 30 1
34 30 31 2
35 26 31 1
36 24 32 1
37 32 33 1
38 33 34 1
39 28 34 1
|
|---|
