| Entry |
|
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| Name |
Zofenopril calcium (USAN);
Zoprace (TN)
|
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| Formula |
(C22H22NO4S2)2. Ca
|
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| Exact mass |
896.1606
|
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| Mol weight |
897.1668
|
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| Structure |
     |
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| Activity |
Enzyme inhibitor [angiotensin-converting]
|
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| Remark |
|
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| Target |
angiotensin-converting enzyme (ACE) inhibitor [HSA: 1636] [KO: K01283] |
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| Pathway |
|
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| Interaction |
Transporter inhibition: SCL15A2 [HSA: 6565]
 |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C09 AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
C09A ACE INHIBITORS, PLAIN
C09AA ACE inhibitors, plain
C09AA15 Zofenopril
D03767 Zofenopril calcium (USAN)
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases
angiotensin-converting enzyme (ACE) [HSA:1636] [KO:K01283]
Zofenopril [ATC:C09AA15]
D03767 Zofenopril calcium (USAN)
 |
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| Other DBs |
CAS: 81938-43-4 PubChem: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 59
1 N1y N 24.3545 -18.2603
2 C1x C 25.6790 -18.8180
3 C1y C 24.5636 -16.8661
4 C5a C 23.1694 -18.9574
5 C1y C 26.5853 -17.7723
6 C1x C 25.8882 -16.5175
7 C6a C 24.4939 -15.4719
8 C1c C 21.9843 -18.2603
9 O5a O 23.1694 -20.3517
10 O6a O 25.7487 -14.7051 #-
11 O6a O 23.3088 -14.7748
12 C1b C 20.7295 -18.9574
13 C1a C 21.9843 -16.8661
14 S2a S 27.9720 -17.8464
15 S2a S 19.5221 -18.2603
16 C5a C 18.3146 -18.9574
17 C8y C 17.1072 -18.2603
18 O5a O 18.3146 -20.3515
19 C8x C 17.1072 -16.8661
20 C8x C 15.8998 -16.1690
21 C8x C 14.6923 -16.8661
22 C8x C 14.6923 -18.2603
23 C8x C 15.8998 -18.9574
24 C8y C 28.7420 -16.6628
25 C8x C 30.1420 -16.6628
26 C8x C 30.8420 -15.4504
27 C8x C 30.1420 -14.2379
28 C8x C 28.7420 -14.2379
29 C8x C 28.0420 -15.4504
30 Z Ca 33.2024 -16.8745 #2+
31 N1y N 24.3545 -18.2603
32 C1x C 25.6790 -18.8180
33 C1y C 26.5853 -17.7723
34 C1x C 25.8882 -16.5175
35 C1y C 24.5636 -16.8661
36 C6a C 24.4939 -15.4719
37 O6a O 25.7487 -14.7051 #-
38 O6a O 23.3088 -14.7748
39 S2a S 27.9720 -17.8464
40 C8y C 28.7420 -16.6628
41 C8x C 30.1420 -16.6628
42 C8x C 30.8420 -15.4504
43 C8x C 30.1420 -14.2379
44 C8x C 28.7420 -14.2379
45 C8x C 28.0420 -15.4504
46 C5a C 23.1694 -18.9574
47 C1c C 21.9843 -18.2603
48 C1b C 20.7295 -18.9574
49 S2a S 19.5221 -18.2603
50 C5a C 18.3146 -18.9574
51 C8y C 17.1072 -18.2603
52 C8x C 17.1072 -16.8661
53 C8x C 15.8998 -16.1690
54 C8x C 14.6923 -16.8661
55 C8x C 14.6923 -18.2603
56 C8x C 15.8998 -18.9574
57 O5a O 18.3146 -20.3515
58 C1a C 21.9843 -16.8661
59 O5a O 23.1694 -20.3517
BOND 62
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 4 9 2
9 7 10 1
10 7 11 2
11 8 12 1
12 8 13 1 #Up
13 5 6 1
14 5 14 1 #Down
15 12 15 1
16 15 16 1
17 16 17 1
18 16 18 2
19 17 19 2
20 19 20 1
21 20 21 2
22 21 22 1
23 22 23 2
24 17 23 1
25 14 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 27 28 1
30 28 29 2
31 24 29 1
32 31 32 1
33 31 35 1
34 31 46 1
35 32 33 1
36 35 34 1
37 35 36 1 #Down
38 46 47 1
39 46 59 2
40 36 37 1
41 36 38 2
42 47 48 1
43 47 58 1 #Up
44 33 34 1
45 33 39 1 #Down
46 48 49 1
47 49 50 1
48 50 51 1
49 50 57 2
50 51 52 2
51 52 53 1
52 53 54 2
53 54 55 1
54 55 56 2
55 51 56 1
56 39 40 1
57 40 41 2
58 41 42 1
59 42 43 2
60 43 44 1
61 44 45 2
62 40 45 1
BRACKET 1 14.0700 -20.7900 14.0700 -13.7200
1 31.0800 -13.7200 31.0800 -20.7900
1 2
ORIGINAL 1 1 2 5 6 3 7 10 11 14 24 25 26 27 28 29 4
1 8 12 15 16 17 19 20 21 22 23 18 13 9
REPEAT 1 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46
1 47 48 49 50 51 52 53 54 55 56 57 58 59
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