| | DRUG: Quinupristin | |
Entry |
|
Name |
Quinupristin (JAN/USAN/INN) |
Formula |
C53H67N9O10S
|
Exact mass |
1021.4732
|
Mol weight |
1022.2184
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Antibacterial |
Comment |
Streptogramin
|
Target |
50S ribosomal subunit |
Interaction |
|
Brite |
Antimicrobials [BR:br08307]
Antibacterials
Protein biosynthesis inhibitor
Streptogramin
D00852 Quinupristin (JAN/USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 73
1 N1y N 30.2680 -16.9220
2 C1y C 30.2680 -18.2212
3 C5x C 31.4988 -16.2382
4 C1x C 29.1055 -16.2382
5 C5x C 31.4304 -18.9050
6 C1x C 29.1055 -18.9050
7 C1y C 27.9431 -16.9220
8 N1x N 32.6613 -18.2212
9 O5x O 31.4304 -20.2726
10 C5x C 27.9431 -18.2212
11 C1b C 26.7806 -16.2382
12 C1y C 33.8237 -18.9050
13 O5x O 26.7806 -18.9050
14 S2a S 25.6182 -16.9220
15 C8y C 33.8237 -20.2726
16 C7x C 34.9862 -18.2212
17 C1y C 24.4557 -16.2382
18 C8x C 32.6613 -20.9564
19 C8x C 34.9862 -20.9564
20 O7x O 36.1487 -18.9050
21 O6a O 34.9862 -16.8536
22 C1y C 23.2932 -16.9220
23 C1x C 24.4557 -14.8706
24 C8x C 32.6613 -22.3240
25 C8x C 34.9862 -22.2556
26 C1y C 37.3111 -18.2212
27 C1x C 22.6094 -15.7595
28 C1x C 22.1308 -16.2382
29 N1y N 23.2932 -14.1868
30 C8x C 33.8237 -22.9394
31 C1y C 38.4736 -18.9050
32 C1x C 23.9770 -15.3492
33 C1x C 22.1308 -14.8706
34 N1b N 38.5420 -21.5034
35 C5a C 39.7044 -22.1872
36 C8y C 39.7044 -23.4864
37 O5a O 40.8669 -21.5034
38 C8y C 40.8669 -24.1702
39 N5x N 38.5420 -24.1702
40 C8x C 40.8669 -25.5378
41 O1a O 42.0293 -23.4864
42 C8x C 38.5420 -25.5378
43 C8x C 39.7044 -26.2216
44 C1y C 31.4988 -14.8706
45 O5x O 32.6613 -16.9220
46 N1y N 32.6613 -14.1184
47 C1b C 30.2680 -14.2551
48 C8y C 30.2680 -12.8875
49 C8x C 31.4304 -12.1354
50 C8x C 31.4304 -10.7678
51 C8y C 30.1996 -10.1523
52 C8x C 29.0372 -10.8361
53 C8x C 29.0372 -12.2037
54 N1c N 30.1996 -8.7847
55 C1a C 31.4304 -8.1693
56 C1a C 29.0372 -8.0326
57 C5x C 33.8237 -14.8022
58 C1a C 32.6613 -12.7508
59 O5x O 33.8237 -16.1698
60 C5x C 39.6360 -18.2212
61 N1x N 39.6360 -16.8536
62 O5x O 40.7985 -18.9050
63 C1a C 37.3111 -20.1358
64 C1y C 38.4736 -16.1698
65 C5x C 38.4736 -14.8022
66 C1b C 37.2427 -16.8536
67 C1a C 36.2170 -15.7595
68 O5x O 39.6360 -14.1184
69 N1y N 36.9008 -13.5030
70 C1y C 35.5332 -13.5030
71 C1x C 37.3111 -12.2037
72 C1x C 36.2170 -11.3832
73 C1x C 35.1230 -12.2037
BOND 80
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 4 7 1
7 5 8 1
8 5 9 2
9 6 10 1
10 7 11 1
11 8 12 1
12 10 13 2
13 11 14 1
14 12 15 1 #Down
15 12 16 1
16 17 14 1 #Up
17 15 18 2
18 15 19 1
19 16 20 1
20 16 21 2
21 17 22 1
22 17 23 1
23 18 24 1
24 19 25 2
25 20 26 1
26 22 27 1
27 22 28 1
28 23 29 1
29 24 30 2
30 26 31 1
31 27 32 1
32 28 33 1
33 31 34 1 #Up
34 34 35 1
35 35 36 1
36 35 37 2
37 36 38 1
38 36 39 2
39 38 40 2
40 38 41 1
41 39 42 1
42 40 43 1
43 7 10 1
44 25 30 1
45 29 32 1
46 29 33 1
47 42 43 2
48 3 44 1
49 3 45 2
50 44 46 1
51 44 47 1 #Down
52 47 48 1
53 48 49 2
54 49 50 1
55 50 51 2
56 51 52 1
57 52 53 2
58 48 53 1
59 51 54 1
60 54 55 1
61 54 56 1
62 46 57 1
63 46 58 1
64 57 59 2
65 31 60 1
66 60 61 1
67 60 62 2
68 26 63 1 #Down
69 61 64 1
70 64 65 1
71 64 66 1 #Down
72 66 67 1
73 65 68 2
74 70 69 1
75 69 71 1
76 71 72 1
77 72 73 1
78 70 73 1
79 57 70 1
80 69 65 1
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