| Entry |
|
|---|
| Name |
Candoxatril (JAN/USAN/INN)
|
|---|
| Formula |
C29H41NO7
|
|---|
| Exact mass |
515.2883
|
|---|
| Mol weight |
515.6383
|
|---|
| Structure |
     |
|---|
| Activity |
Antihypertensive
|
|---|
| Target |
neutral endopeptidase inhibitor [HSA: 4311] [KO: K01389] |
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases
neutral endopeptidase
Candoxatril
D01070 Candoxatril (JAN/USAN/INN)
 |
|---|
| Other DBs |
CAS: 123122-55-4 PubChem: DrugBank: LigandBox: NIKKAJI: |
|---|
| KCF data |
ATOM 37
1 C1z C 26.0603 -15.7598
2 C1x C 27.1997 -14.9468
3 C1x C 26.7746 -13.6089
4 C1x C 25.3711 -13.6009
5 C1x C 24.9333 -14.9303
6 O2a O 22.4351 -13.6423
7 C1b C 23.6436 -14.3482
8 C1c C 23.6365 -15.7476
9 C1b C 24.8449 -16.4535
10 C7a C 22.4209 -16.4413
11 O7a O 21.2126 -15.7354
12 O6a O 22.4139 -17.8407
13 C5a C 27.2688 -16.4657
14 N1b N 28.4842 -15.7721
15 O5a O 27.3316 -17.8651
16 C1y C 29.6926 -16.4779
17 C1x C 29.6794 -17.8768
18 C1x C 30.8879 -18.5829
19 C1y C 32.1033 -17.8892
20 C1x C 32.1104 -16.4898
21 C1x C 30.9019 -15.7839
22 C6a C 33.3117 -18.5951
23 C8y C 19.9970 -16.4290
24 C8x C 18.7857 -15.7302
25 C8x C 18.7716 -18.5291
26 C8x C 19.9870 -17.8355
27 C8y C 17.5631 -17.8232
28 C8y C 17.5760 -16.4172
29 C1x C 16.2427 -15.9705
30 C1x C 15.4132 -17.1004
31 C1x C 16.2220 -18.2455
32 C1b C 21.2426 -14.3233
33 C1b C 20.0214 -13.6102
34 O2a O 18.8175 -14.2970
35 C1a C 17.6108 -13.5919
36 O6a O 34.5230 -17.9040
37 O6a O 33.3042 -20.0199
BOND 40
1 4 5 1
2 16 14 1 #Up
3 6 7 1
4 5 1 1
5 8 7 1 #Down
6 8 9 1
7 16 17 1
8 17 18 1
9 18 19 1
10 19 20 1
11 20 21 1
12 21 16 1
13 1 2 1
14 19 22 1 #Up
15 8 10 1
16 10 11 1
17 2 3 1
18 11 23 1
19 10 12 2
20 9 1 1
21 23 24 2
22 24 28 1
23 27 25 1
24 25 26 2
25 26 23 1
26 1 13 1
27 3 4 1
28 13 14 1
29 13 15 2
30 27 28 2
31 28 29 1
32 29 30 1
33 30 31 1
34 31 27 1
35 6 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 22 36 1
40 22 37 2
|
|---|
