| | DRUG: Thiostrepton | |
Entry |
|
Name |
Thiostrepton (USP) |
Formula |
C72H85N19O18S5
|
Exact mass |
1663.4924
|
Mol weight |
1664.8868
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Antibacterial (veterinary) |
Comment |
Component of Panolog cream (TN)
Cyclic oligopeptide antibacterial
|
Target |
50S ribosomal subunit |
Pathway |
|
Other DBs |
|
KCF data |
ATOM 114
1 C8y C 23.2872 -19.0877
2 C1y C 17.9871 -25.3447
3 C1x C 18.4219 -24.0173
4 S2x S 17.2888 -23.1934
5 C2y C 16.1559 -24.0173
6 N2x N 16.5905 -25.3447
7 C5a C 19.2004 -26.0430
8 N1b N 20.4066 -25.3447
9 C1c C 21.6128 -26.0359
10 C8y C 22.8189 -25.3376
11 S2x S 24.2156 -25.3378
12 C8x C 24.6503 -24.0102
13 C8y C 23.5172 -23.1863
14 N5x N 22.3844 -24.0102
15 C1c C 14.3241 -19.7354
16 C1a C 14.3817 -18.3388
17 O1a O 13.1206 -20.4444
18 C1c C 15.4903 -19.7511
19 N5x N 19.7435 -16.8522
20 C8y C 20.1782 -15.5249
21 S2x S 19.0452 -14.7008
22 C8x C 17.9123 -15.5249
23 C8y C 18.3469 -16.8522
24 C8y C 22.5931 -16.9227
25 C8x C 21.4533 -17.7468
26 S2x S 21.8878 -19.0813
27 N5x N 23.7261 -17.7468
28 C1y C 22.5951 -15.5261
29 N2x N 23.8067 -14.0615
30 C2y C 23.8088 -12.8748
31 C1x C 22.6002 -12.1747
32 C1x C 21.3898 -12.8713
33 C1z C 21.3878 -14.8279
34 C5a C 17.9731 -18.1994
35 O5a O 19.0748 -19.0577
36 C8y C 25.0193 -12.1782
37 S2x S 26.2932 -12.7406
38 C8x C 27.2292 -11.7040
39 C8y C 26.5326 -10.4936
40 N5x N 25.1661 -10.7819
41 N1b N 16.6188 -18.5592
42 N1b N 22.4533 -14.0523
43 C1d C 21.6158 -27.4326
44 C1a C 20.4079 -28.1336
45 C1c C 22.8269 -28.1283
46 O1a O 22.8189 -26.5802
47 O1a O 22.8299 -29.5249
48 C1a C 24.0349 -27.4273
49 O5a O 19.2035 -27.4397
50 C2c C 14.9401 -23.3133
51 N1b N 14.9418 -21.9167
52 C2b C 13.7297 -24.0101
53 C1a C 12.5210 -23.3102
54 C5a C 16.1815 -20.9573
55 O5a O 17.5781 -20.9573
56 C5a C 26.5221 -9.0904
57 O5a O 25.3075 -8.4011
58 N1b N 27.7264 -8.3830
59 C2c C 28.9410 -9.0723
60 C5a C 30.1454 -8.3649
61 C2a C 28.8815 -10.4689
62 N1b N 31.3600 -9.0542
63 O5a O 30.2049 -6.9684
64 C2c C 32.5643 -8.3469
65 C5a C 33.7789 -9.0361
66 C2a C 32.5538 -6.9503
67 O5a O 33.7894 -10.4327
68 N1a N 34.9833 -8.3288
69 C8y C 27.6174 -22.3894
70 C8x C 27.6803 -23.7860
71 C8y C 28.8163 -24.4904
72 N5x N 28.8303 -21.6972
73 C8y C 30.0363 -22.4016
74 C8y C 30.0219 -23.7924
75 C2x C 31.2195 -24.5002
76 C2x C 32.5011 -23.8172
77 C1y C 32.4455 -22.4263
78 C1y C 31.2481 -21.7185
79 C1c C 28.8724 -25.8809
80 C1a C 27.6559 -26.5671
81 O1a O 30.0748 -26.5913
82 N1b N 33.6604 -21.7376
83 C7a C 26.4114 -21.6850
84 C5a C 32.4614 -19.2927
85 C1c C 33.6676 -19.9910
86 C1c C 34.8737 -19.2927
87 C1b C 36.0799 -19.9910
88 C1c C 25.2313 -15.0676
89 N1b N 26.4373 -15.7720
90 C5a C 27.6504 -15.0798
91 C2c C 28.8562 -15.7842
92 O5a O 27.6573 -13.6832
93 C2a C 28.8493 -16.9708
94 N1b N 30.0693 -15.0920
95 C5a C 31.2754 -15.7964
96 C5a C 24.0183 -15.7598
97 C1a C 25.1684 -13.6710
98 O5a O 24.0112 -16.8743
99 C1c C 31.2682 -17.1930
100 O5a O 32.4883 -15.1042
101 C1a C 30.0551 -18.0252
102 N1b N 32.4742 -17.8974
103 O5a O 31.0648 -19.2856
104 C1a C 34.8737 -17.8961
105 C1a C 37.2901 -19.2942
106 O7a O 26.4183 -19.9384
107 C1c C 25.2125 -19.2340
108 C1a C 25.2194 -17.8373
109 C1c C 23.9994 -19.9262
110 N1b N 23.9899 -21.3170
111 C5a C 22.7766 -22.0084
112 O5a O 21.4220 -21.6685
113 O6a O 25.1983 -22.3770
114 O1a O 31.2481 -20.3185
BOND 123
1 51 54 1
2 2 3 1
3 39 56 1
4 30 36 1
5 56 57 2
6 28 29 1
7 56 58 1
8 29 30 2
9 58 59 1
10 36 37 1
11 59 60 1
12 37 38 1
13 59 61 2
14 38 39 2
15 60 62 1
16 39 40 1
17 60 63 2
18 40 36 2
19 62 64 1
20 27 1 2
21 64 65 1
22 25 26 1
23 64 66 2
24 30 31 1
25 65 67 2
26 31 32 1
27 65 68 1
28 32 33 1
29 33 28 1
30 33 20 1 #Up
31 23 34 1
32 19 20 2
33 69 70 1
34 70 71 2
35 71 74 1
36 73 72 1
37 72 69 2
38 20 21 1
39 21 22 1
40 22 23 2
41 23 19 1
42 24 25 2
43 26 1 1
44 73 74 2
45 74 75 1
46 75 76 2
47 76 77 1
48 77 78 1
49 78 73 1
50 27 24 1
51 71 79 1
52 34 35 2
53 79 80 1
54 24 28 1
55 79 81 1
56 11 12 1
57 77 82 1 #Down
58 34 41 1
59 69 83 1
60 18 41 1 #Down
61 12 13 2
62 84 85 1
63 85 86 1
64 13 14 1
65 86 87 1
66 33 42 1 #Down
67 14 10 2
68 88 89 1
69 9 43 1
70 89 90 1
71 10 11 1
72 90 91 1
73 43 44 1
74 90 92 2
75 7 8 1
76 91 93 2
77 43 45 1
78 91 94 1
79 18 15 1
80 94 95 1
81 43 46 1
82 88 96 1
83 3 4 1
84 88 97 1
85 45 47 1
86 96 98 2
87 15 16 1
88 95 99 1
89 45 48 1
90 95 100 2
91 9 8 1 #Up
92 99 101 1
93 7 49 2
94 99 102 1
95 102 84 1
96 7 2 1
97 84 103 2
98 15 17 1 #Down
99 86 104 1
100 5 50 1
101 87 105 1
102 85 82 1
103 4 5 1
104 50 51 1
105 83 106 1
106 9 10 1
107 106 107 1
108 50 52 2
109 107 108 1
110 5 6 2
111 107 109 1
112 52 53 1
113 109 110 1 #Down
114 42 96 1
115 6 2 1
116 110 111 1
117 111 13 1
118 1 109 1
119 18 54 1
120 111 112 2
121 83 113 2
122 54 55 2
123 78 114 1 #Up
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