| Entry |
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| Name |
Gitoformate (INN)
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| Formula |
C46H64O19
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| Exact mass |
920.4042
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| Mol weight |
920.989
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| Structure |
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| Activity |
Cardiotonic
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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
C01AA09 Gitoformate
D07147 Gitoformate (INN)
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]
Gitoformate [ATC:C01AA09]
D07147 Gitoformate (INN)
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| Other DBs |
CAS: 7685-23-6 PubChem: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 65
1 C1x C 28.7000 -27.5100
2 C1y C 28.7000 -28.9100
3 C1y C 29.8900 -29.6100
4 C1z C 31.1500 -28.9100
5 C1z C 31.1500 -27.5100
6 C1x C 29.8900 -26.8100
7 C1z C 27.5100 -29.6100
8 C1y C 27.5100 -31.0100
9 C1x C 28.7000 -31.7100
10 C1x C 29.8900 -31.0100
11 C1x C 26.2500 -28.9100
12 C1x C 25.0600 -29.6100
13 C1y C 25.0600 -31.0100
14 C1x C 26.2500 -31.7100
15 C1x C 32.4800 -29.3300
16 C1y C 33.2500 -28.2100
17 C1y C 32.4800 -27.0900
18 C2y C 32.9000 -25.7600
19 C2x C 34.2300 -25.3400
20 C7x C 34.2300 -23.9400
21 O7x O 32.9000 -23.4500
22 C1x C 32.0600 -24.6400
23 O6a O 35.3500 -23.1000
24 O2a O 34.4400 -27.5100
25 C7a C 35.6300 -28.2100
26 O6a O 36.8200 -27.5100
27 O1a O 31.1500 -30.3100
28 C1a C 31.1500 -26.1100
29 C1a C 27.5100 -28.2100
30 O2a O 23.8447 -31.7051
31 C1y C 22.6563 -31.0123
32 O2x O 22.6621 -29.6101
33 C1y C 21.4525 -28.9051
34 C1y C 20.2372 -29.6001
35 C1y C 20.2314 -31.0022
36 C1x C 21.4409 -31.7073
37 C1a C 21.3882 -27.5105
38 O2a O 19.0117 -31.6997
39 O2a O 19.0267 -28.8945
40 C1y C 17.8148 -29.5875
41 C7a C 19.0056 -33.1096
42 O6a O 17.8161 -33.7898
43 C1x C 16.5898 -28.8729
44 C1y C 15.3742 -29.5675
45 C1y C 15.3680 -30.9675
46 C1y C 16.5931 -31.6821
47 O2x O 17.8086 -30.9875
48 C1a C 16.5868 -33.1100
49 O2a O 14.1883 -31.6413
50 C1y C 12.9949 -30.9447
51 O2x O 13.0014 -29.5401
52 C1y C 11.7923 -28.8345
53 C1y C 10.5766 -29.5288
54 C1y C 10.5700 -30.9334
55 C1x C 11.7792 -31.6390
56 O2a O 14.1727 -28.8664
57 C7a C 14.1727 -27.4664
58 C1a C 11.7287 -27.4405
59 O2a O 9.3675 -28.8231
60 C7a C 8.1541 -29.5161
61 O6a O 6.9306 -28.8016
62 O2a O 9.3515 -31.6293
63 O6a O 12.9241 -26.7460
64 C7a C 8.1683 -30.9387
65 O6a O 6.9685 -31.6240
BOND 72
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 3 10 1
12 7 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 8 14 1
17 4 15 1
18 15 16 1
19 16 17 1
20 5 17 1
21 17 18 1
22 18 19 2
23 19 20 1
24 20 21 1
25 21 22 1
26 18 22 1
27 20 23 2
28 24 25 1
29 24 16 1
30 25 26 2
31 4 27 1
32 5 28 1
33 7 29 1
34 13 30 1
35 30 31 1
36 31 32 1
37 32 33 1
38 33 34 1
39 34 35 1
40 35 36 1
41 31 36 1
42 33 37 1
43 35 38 1
44 34 39 1
45 39 40 1
46 38 41 1
47 41 42 2
48 40 43 1
49 43 44 1
50 44 45 1
51 45 46 1
52 46 47 1
53 40 47 1
54 46 48 1
55 45 49 1
56 49 50 1
57 50 51 1
58 51 52 1
59 52 53 1
60 53 54 1
61 54 55 1
62 50 55 1
63 44 56 1
64 56 57 1
65 52 58 1
66 53 59 1
67 59 60 1
68 60 61 2
69 54 62 1
70 57 63 2
71 62 64 1
72 64 65 2
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