| Entry |
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| Name |
Vinleurosine sulfate (USAN) |
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| Formula |
(C46H56N4O9)2. H2SO4
|
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| Exact mass |
1714.7768
|
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| Mol weight |
1715.995
|
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| Structure |
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| Class |
Antineoplastic
DG01965 Vinca alkaloid antineoplastic
|
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| Efficacy |
Antineoplastic, Tubulin polymerization inhibitor |
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| Comment |
Vinca alkaloid derivative
|
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| Target |
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| Pathway |
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| Interaction |
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| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01965 Vinca alkaloid antineoplastic
D06307 Vinleurosine sulfate
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D06307 Vinleurosine sulfate (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 123
1 C1z C 18.7600 -18.0600
2 C1y C 19.8800 -17.3600
3 C1y C 18.7600 -19.3200
4 C1x C 17.9200 -16.9400
5 C1z C 21.0000 -18.0600
6 N1y N 19.8800 -16.0300
7 C1z C 19.8800 -20.0200
8 N1y N 17.6400 -20.0200
9 C8y C 16.5200 -19.3200
10 C1x C 18.5500 -16.0300
11 C1y C 21.0000 -19.3200
12 C2x C 22.1900 -17.3600
13 C1b C 22.1200 -18.6900
14 C1x C 21.0000 -15.4000
15 C7a C 20.7900 -21.1400
16 O1a O 19.3900 -21.9100
17 C1a C 17.6400 -21.3500
18 O7a O 24.3600 -20.6500
19 C2x C 22.1900 -16.0300
20 C1a C 23.2400 -18.0600
21 O7a O 20.7900 -22.4700
22 O6a O 22.1200 -20.6500
23 C1a C 21.9800 -23.1700
24 C1a C 26.8100 -20.6500
25 C7a C 25.5500 -19.9500
26 O6a O 25.5500 -18.5500
27 C8y C 16.5200 -18.0600
28 C8x C 15.4000 -17.4300
29 C8x C 15.4000 -20.0200
30 C8y C 14.2800 -18.0600
31 C8y C 14.2800 -19.3900
32 C1z C 11.2000 -15.8900
33 O2a O 13.1600 -20.0200
34 C8y C 10.0800 -15.1200
35 C1x C 12.4600 -15.1200
36 C7a C 10.8500 -17.1500
37 C1a C 12.0400 -19.3900
38 C8y C 10.0800 -13.7200
39 N4x N 8.9600 -15.7500
40 C1y C 12.4600 -13.8600
41 O7a O 9.3800 -17.6400
42 O6a O 11.6900 -18.2000
43 C8y C 7.7700 -13.7200
44 C1x C 9.3100 -12.6000
45 C8y C 7.7700 -15.1200
46 C1x C 11.3400 -13.2300
47 C1a C 8.5400 -19.0400
48 C8x C 6.5800 -13.0900
49 C1x C 10.0800 -11.6200
50 C8x C 6.5800 -15.7500
51 N1y N 11.3400 -11.9700
52 C8x C 5.5300 -13.7200
53 C8x C 5.5300 -15.1200
54 C1x C 12.4600 -11.2000
55 C1z C 13.5800 -11.8300
56 C1y C 13.5800 -13.0200
57 O2x O 14.6300 -12.3900
58 C1b C 14.8400 -11.1300
59 C1a C 16.0300 -11.8300
60 S4a S 31.8220 -17.0500
61 O1d O 31.8220 -15.6500
62 O1d O 31.8220 -18.4500
63 O1d O 30.4219 -17.0500
64 O1d O 33.2219 -17.0500
65 C1z C 18.7600 -18.0600
66 C1y C 19.8800 -17.3600
67 C1z C 21.0000 -18.0600
68 C1y C 21.0000 -19.3200
69 O7a O 24.3600 -20.6500
70 C7a C 25.5500 -19.9500
71 C1a C 26.8100 -20.6500
72 O6a O 25.5500 -18.5500
73 C1z C 19.8800 -20.0200
74 C1y C 18.7600 -19.3200
75 N1y N 17.6400 -20.0200
76 C1a C 17.6400 -21.3500
77 C8y C 16.5200 -19.3200
78 C8x C 15.4000 -20.0200
79 C8y C 14.2800 -19.3900
80 O2a O 13.1600 -20.0200
81 C1a C 12.0400 -19.3900
82 C8y C 14.2800 -18.0600
83 C8x C 15.4000 -17.4300
84 C8y C 16.5200 -18.0600
85 C1z C 11.2000 -15.8900
86 C8y C 10.0800 -15.1200
87 C8y C 10.0800 -13.7200
88 C8y C 7.7700 -13.7200
89 C8x C 6.5800 -13.0900
90 C8x C 5.5300 -13.7200
91 C8x C 5.5300 -15.1200
92 C8x C 6.5800 -15.7500
93 C8y C 7.7700 -15.1200
94 N4x N 8.9600 -15.7500
95 C1x C 9.3100 -12.6000
96 C1x C 10.0800 -11.6200
97 N1y N 11.3400 -11.9700
98 C1x C 11.3400 -13.2300
99 C1y C 12.4600 -13.8600
100 C1x C 12.4600 -15.1200
101 C1y C 13.5800 -13.0200
102 C1z C 13.5800 -11.8300
103 C1x C 12.4600 -11.2000
104 O2x O 14.6300 -12.3900
105 C1b C 14.8400 -11.1300
106 C1a C 16.0300 -11.8300
107 C7a C 10.8500 -17.1500
108 O7a O 9.3800 -17.6400
109 C1a C 8.5400 -19.0400
110 O6a O 11.6900 -18.2000
111 C7a C 20.7900 -21.1400
112 O7a O 20.7900 -22.4700
113 C1a C 21.9800 -23.1700
114 O6a O 22.1200 -20.6500
115 O1a O 19.3900 -21.9100
116 C2x C 22.1900 -17.3600
117 C2x C 22.1900 -16.0300
118 C1x C 21.0000 -15.4000
119 N1y N 19.8800 -16.0300
120 C1x C 18.5500 -16.0300
121 C1x C 17.9200 -16.9400
122 C1b C 22.1200 -18.6900
123 C1a C 23.2400 -18.0600
BOND 140
1 60 61 2
2 60 62 2
3 60 63 1
4 60 64 1
5 1 2 1
6 1 3 1
7 1 4 1 #Up
8 2 5 1
9 2 6 1
10 3 7 1
11 3 8 1
12 4 10 1
13 5 11 1
14 5 12 1
15 5 13 1 #Down
16 6 14 1
17 7 15 1 #Down
18 7 16 1 #Up
19 8 17 1
20 11 18 1 #Up
21 12 19 2
22 13 20 1
23 15 21 1
24 6 10 1
25 7 11 1
26 8 9 1
27 14 19 1
28 15 22 2
29 21 23 1
30 24 25 1
31 18 25 1
32 25 26 2
33 27 28 1
34 9 29 1
35 28 30 2
36 29 31 2
37 32 30 1
38 31 33 1
39 32 34 1
40 32 35 1
41 32 36 1 #Up
42 33 37 1
43 34 38 2
44 34 39 1
45 35 40 1
46 36 41 1
47 36 42 2
48 38 43 1
49 38 44 1
50 39 45 1
51 40 46 1 #Down
52 40 56 1
53 41 47 1
54 43 48 1
55 44 49 1
56 45 50 1
57 51 46 1 #Down
58 48 52 2
59 50 53 2
60 51 54 1
61 30 31 1
62 43 45 2
63 49 51 1
64 55 54 1
65 52 53 1
66 55 56 1
67 55 57 1
68 57 56 1
69 55 58 1 #Up
70 58 59 1
71 27 1 1
72 27 9 2
73 65 66 1
74 65 74 1
75 65 121 1 #Up
76 66 67 1
77 66 119 1
78 74 73 1
79 74 75 1
80 121 120 1
81 67 68 1
82 67 116 1
83 67 122 1 #Down
84 119 118 1
85 73 111 1 #Down
86 73 115 1 #Up
87 75 76 1
88 68 69 1 #Up
89 116 117 2
90 122 123 1
91 111 112 1
92 119 120 1
93 73 68 1
94 75 77 1
95 118 117 1
96 111 114 2
97 112 113 1
98 71 70 1
99 69 70 1
100 70 72 2
101 84 83 1
102 77 78 1
103 83 82 2
104 78 79 2
105 85 82 1
106 79 80 1
107 85 86 1
108 85 100 1
109 85 107 1 #Up
110 80 81 1
111 86 87 2
112 86 94 1
113 100 99 1
114 107 108 1
115 107 110 2
116 87 88 1
117 87 95 1
118 94 93 1
119 99 98 1 #Down
120 99 101 1
121 108 109 1
122 88 89 1
123 95 96 1
124 93 92 1
125 97 98 1 #Down
126 89 90 2
127 92 91 2
128 97 103 1
129 82 79 1
130 88 93 2
131 96 97 1
132 102 103 1
133 90 91 1
134 102 101 1
135 102 104 1
136 104 101 1
137 102 105 1 #Up
138 105 106 1
139 84 65 1
140 84 77 2
BRACKET 1 5.3900 -23.8000 5.3900 -10.5700
1 28.5600 -10.5700 28.5600 -23.8000
1 2
ORIGINAL 1 1 2 5 11 18 27 26 28 7 3 8 17 9 31 33 35
1 39 32 30 29 34 36 40 45 50 54 55 52 47 41 46 51
1 53 48 42 37 58 57 56 59 60 61 62 38 43 49 44 23
1 15 21 25 24 16 12 19 14 6 10 4 13 20 22
REPEAT 1 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83
1 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99
1 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115
1 116 117 118 119 120 121 122 123 124 125 126 127 128 129
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