| Entry |
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| Name |
Acetyldigoxin;
Cedigossima (TN)
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| Formula |
C43H66O15
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| Exact mass |
822.4402
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| Mol weight |
822.9751
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| Structure |
     |
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| Activity |
Cardiac glycoside
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| Remark |
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| Target |
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| Pathway |
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| Interaction |
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| Structure map |
| Ion transporter inhibitors |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01A CARDIAC GLYCOSIDES
C01AA Digitalis glycosides
C01AA02 Acetyldigoxin
D07555 Acetyldigoxin
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases
sodium/potassium-transporting ATPase [HSA:476 477 478 480 23439 481 482 483] [KO:K01539 K01540]
Acetyldigoxin [ATC:C01AA02]
D07555 Acetyldigoxin
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| Other DBs |
CAS: 5511-98-8 PubChem: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 58
1 O2a O 25.4100 -21.2800
2 C1y C 26.6000 -20.5100
3 C1x C 27.7900 -21.2100
4 C1y C 28.9800 -20.5100
5 C1z C 28.9800 -19.1100
6 C1x C 27.7900 -18.4100
7 C1x C 26.6000 -19.1100
8 C1x C 30.2400 -21.2100
9 C1x C 31.4300 -20.5100
10 C1y C 31.4300 -19.1100
11 C1y C 30.2400 -18.4100
12 C1z C 32.6200 -18.4100
13 C1z C 32.6200 -17.0100
14 C1y C 31.4300 -16.3100
15 C1x C 30.2400 -17.0100
16 C1x C 33.9500 -18.8300
17 C1x C 34.7900 -17.7100
18 C1y C 33.9500 -16.5900
19 C2y C 34.3700 -15.2600
20 C2x C 35.8400 -15.2600
21 C7x C 36.2600 -13.9300
22 O7x O 35.1400 -13.0900
23 C1x C 34.0200 -13.8600
24 O6a O 37.5900 -13.5100
25 C1a C 32.6200 -15.6100
26 O1a O 32.6200 -19.8100
27 C1a C 28.9800 -17.7100
28 C1y C 24.1500 -20.6500
29 O2x O 24.1500 -19.2500
30 C1y C 22.8900 -18.5500
31 C1y C 21.7000 -19.2500
32 C1y C 21.7000 -20.6500
33 C1x C 22.8900 -21.3500
34 O2a O 20.5100 -18.5500
35 C1y C 19.3200 -19.2500
36 O2x O 19.3200 -20.6500
37 O1a O 20.5100 -21.3500
38 C1x C 18.0600 -18.5500
39 C1y C 16.8700 -19.2500
40 C1y C 16.8700 -20.6500
41 C1y C 18.0600 -21.3500
42 O1a O 15.6800 -18.5500
43 O2x O 14.4200 -19.2500
44 C1y C 14.4200 -20.6500
45 O2a O 15.6800 -21.3500
46 C1y C 13.2300 -18.5500
47 C1y C 12.0400 -19.2500
48 C1y C 12.0400 -20.6500
49 C1x C 13.2300 -21.3500
50 O1a O 10.7800 -18.5500
51 O7a O 10.7800 -21.3500
52 C1a C 22.8900 -17.1500
53 C1a C 18.0600 -22.7500
54 C1a C 13.2300 -17.1500
55 O1a O 31.4300 -14.9100
56 C7a C 9.5793 -20.6301
57 C1a C 8.3554 -21.3100
58 O6a O 9.6022 -19.6701
BOND 65
1 2 1 1 #Up
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 2 7 1
8 4 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 5 11 1
13 10 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 11 15 1
18 12 16 1
19 16 17 1
20 17 18 1
21 13 18 1
22 18 19 1 #Up
23 19 20 2
24 20 21 1
25 21 22 1
26 22 23 1
27 19 23 1
28 21 24 2
29 13 25 1 #Up
30 12 26 1 #Up
31 5 27 1 #Up
32 28 1 1 #Up
33 28 29 1
34 29 30 1
35 30 31 1
36 31 32 1
37 32 33 1
38 28 33 1
39 31 34 1 #Down
40 35 34 1 #Down
41 35 36 1
42 32 37 1 #Down
43 35 38 1
44 38 39 1
45 39 40 1
46 40 41 1
47 36 41 1
48 39 42 1 #Up
49 43 44 1
50 44 45 1 #Up
51 40 45 1 #Up
52 43 46 1
53 46 47 1
54 47 48 1
55 48 49 1
56 44 49 1
57 47 50 1 #Down
58 48 51 1 #Down
59 30 52 1 #Up
60 41 53 1 #Down
61 46 54 1 #Up
62 14 55 1 #Up
63 51 56 1
64 56 57 1
65 56 58 2
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