| Entry |
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| Name |
Lavoltidine succinate (USAN)
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| Formula |
(C19H29N5O2)2. C4H6O4
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| Exact mass |
836.4909
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| Mol weight |
837.0198
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| Structure |
     |
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| Activity |
Anti-ulcerative [histamine H2-receptor blocker]
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| Target |
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| Pathway |
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| Interaction |
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| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
H2-receptor [HSA:3274] [KO:K04150]
Lavoltidine
D04680 Lavoltidine succinate (USAN)
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| Other DBs |
CAS: 86160-82-9 PubChem: LigandBox: |
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| KCF data |
ATOM 60
1 C6a C 37.4833 -21.9360
2 C1b C 36.2640 -22.6452
3 O6a O 38.7086 -22.6452
4 O6a O 37.4833 -20.5348
5 C1b C 35.0505 -21.9418
6 C6a C 33.8370 -22.6510
7 O6a O 32.6175 -21.9478
8 O6a O 33.8370 -24.0522
9 N1b N 33.0304 -18.8648
10 C8x C 24.5461 -16.7717
11 C8y C 24.5441 -18.1769
12 C8x C 25.7591 -18.8818
13 C8y C 26.9700 -18.1760
14 C8x C 26.9651 -16.7655
15 C8x C 25.7561 -16.0742
16 O2a O 28.1854 -18.8789
17 C1b C 29.3968 -18.1747
18 C1b C 30.6078 -18.8719
19 C1b C 31.8191 -18.1676
20 C1b C 23.3289 -18.8801
21 N1y N 22.1149 -18.1750
22 C1x C 22.1268 -16.7725
23 C1x C 20.9199 -16.0747
24 C1x C 19.7005 -16.7648
25 C1x C 19.6961 -18.1678
26 C1x C 20.9110 -18.8805
27 C8y C 34.2427 -18.1566
28 N4y N 34.2427 -16.7550
29 C1a C 33.0483 -16.0653
30 N5x N 35.5757 -18.5898
31 C8y C 36.3996 -17.4558
32 N5x N 35.5757 -16.3219
33 C1b C 37.7759 -17.4557
34 O1a O 38.4793 -16.2372
35 N1b N 33.0304 -18.8648
36 C8y C 34.2427 -18.1566
37 N4y N 34.2427 -16.7550
38 C1a C 33.0483 -16.0653
39 N5x N 35.5757 -16.3219
40 C8y C 36.3996 -17.4558
41 N5x N 35.5757 -18.5898
42 C1b C 37.7759 -17.4557
43 O1a O 38.4793 -16.2372
44 C1b C 31.8191 -18.1676
45 C1b C 30.6078 -18.8719
46 C1b C 29.3968 -18.1747
47 O2a O 28.1854 -18.8789
48 C8y C 26.9700 -18.1760
49 C8x C 25.7591 -18.8818
50 C8y C 24.5441 -18.1769
51 C1b C 23.3289 -18.8801
52 N1y N 22.1149 -18.1750
53 C1x C 22.1268 -16.7725
54 C1x C 20.9199 -16.0747
55 C1x C 19.7005 -16.7648
56 C1x C 19.6961 -18.1678
57 C1x C 20.9110 -18.8805
58 C8x C 24.5461 -16.7717
59 C8x C 25.7561 -16.0742
60 C8x C 26.9651 -16.7655
BOND 63
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 5 6 1
6 6 7 1
7 6 8 2
8 11 20 1
9 12 13 2
10 20 21 1
11 21 22 1
12 13 14 1
13 14 15 2
14 15 10 1
15 21 26 1
16 22 23 1
17 23 24 1
18 24 25 1
19 25 26 1
20 9 27 1
21 16 17 1
22 17 18 1
23 10 11 2
24 18 19 1
25 19 9 1
26 16 13 1
27 11 12 1
28 27 28 1
29 28 29 1
30 27 30 2
31 30 31 1
32 31 32 2
33 28 32 1
34 31 33 1
35 33 34 1
36 50 51 1
37 49 48 2
38 51 52 1
39 52 53 1
40 48 60 1
41 60 59 2
42 59 58 1
43 52 57 1
44 53 54 1
45 54 55 1
46 55 56 1
47 56 57 1
48 35 36 1
49 47 46 1
50 46 45 1
51 58 50 2
52 45 44 1
53 44 35 1
54 47 48 1
55 50 49 1
56 36 37 1
57 37 38 1
58 36 41 2
59 41 40 1
60 40 39 2
61 37 39 1
62 40 42 1
63 42 43 1
BRACKET 1 19.3200 -20.1600 19.3200 -15.0500
1 39.6200 -15.0500 39.6200 -20.1600
1 2
ORIGINAL 1 9 27 28 29 32 31 30 33 34 19 18 17 16 13 12 11
1 20 21 22 23 24 25 26 10 15 14
REPEAT 1 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50
1 51 52 53 54 55 56 57 58 59 60
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