| Entry |
|
|---|
| Name |
Ruclosporin (USAN/INN) |
|---|
| Formula |
C68H122N12O14
|
|---|
| Exact mass |
1330.9203
|
|---|
| Mol weight |
1331.77
|
|---|
| Structure |
|
|---|
| Class |
Immunological agent
DG03129 Calcineurin inhibitor
|
|---|
| Efficacy |
Immunosuppressant, Calcineurin inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04650 | Natural killer cell mediated cytotoxicity |
| hsa04660 | T cell receptor signaling pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Immunological agent
DG03129 Calcineurin inhibitor
D10983 Ruclosporin
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphatases
PPP3C/PPP3R/CHP
D10983 Ruclosporin (USAN/INN)
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 94
1 C1c C 19.6700 -13.0200
2 N1c N 18.6200 -13.6500
3 C5a C 20.7900 -13.6500
4 C1c C 19.6700 -11.7600
5 C5a C 17.5000 -13.0200
6 C1a C 18.6200 -14.9100
7 N1b N 21.9100 -13.0200
8 O5a O 20.7900 -14.9100
9 C1c C 20.7900 -11.1300
10 O1a O 18.6200 -11.1300
11 C1c C 16.4500 -13.6500
12 O5a O 17.5000 -11.7600
13 C1c C 22.9600 -13.6500
14 C1a C 21.9100 -11.7600
15 N1c N 15.3300 -13.0200
16 C1c C 16.4500 -15.3300
17 C5a C 24.0800 -13.0200
18 C5a C 14.2100 -13.6500
19 C1a C 15.3300 -11.7600
20 C1a C 15.4000 -15.9600
21 C1a C 17.5700 -15.9600
22 N1c N 25.1300 -13.6500
23 O5a O 24.0800 -11.7600
24 C1c C 13.1600 -13.0200
25 O5a O 14.2100 -14.9100
26 N1c N 12.0400 -13.6500
27 C1b C 13.1600 -11.7600
28 C5a C 12.0400 -17.0100
29 C1a C 10.7800 -13.6500
30 C1c C 12.0400 -11.1300
31 C1c C 10.9900 -18.8300
32 C1a C 12.0400 -9.8700
33 C1a C 10.9900 -11.7600
34 C1c C 26.2500 -20.0900
35 N1c N 10.9900 -20.0900
36 C1b C 9.8700 -18.2000
37 C5a C 25.1300 -20.7200
38 C1b C 27.3700 -20.7200
39 C5a C 12.0400 -20.7200
40 C1a C 9.8700 -20.7200
41 C1c C 8.7500 -18.8300
42 N1b N 24.0800 -20.0900
43 O5a O 25.1300 -21.9800
44 C1c C 28.4200 -20.0900
45 C1c C 13.1600 -20.0900
46 O5a O 12.0400 -21.9800
47 C1a C 7.7000 -18.2000
48 C1c C 22.9600 -20.7200
49 C1a C 29.5400 -20.7200
50 C1a C 28.4200 -18.8300
51 N1b N 14.2100 -20.7200
52 C1a C 13.1600 -18.9000
53 C5a C 21.9100 -20.0900
54 C1c C 22.9600 -22.4000
55 C5a C 15.3300 -20.0900
56 N1c N 20.7900 -20.7200
57 O5a O 21.9100 -18.8300
58 C1a C 21.8400 -23.3100
59 C1a C 24.0800 -23.2400
60 C1c C 16.4500 -20.7200
61 O5a O 15.3300 -18.8300
62 C1c C 19.6700 -20.0900
63 C1a C 20.7900 -21.9800
64 N1b N 17.5000 -20.0900
65 C1a C 16.4500 -21.9800
66 C5a C 18.6200 -20.7200
67 C1b C 19.6700 -17.7800
68 O5a O 18.6200 -21.9800
69 C1c C 20.7900 -17.1500
70 C1a C 20.7900 -15.8900
71 C1a C 21.9100 -17.7800
72 C1a C 8.7500 -20.2300
73 O5a O 13.2300 -17.7100
74 C1b C 20.7900 -9.7300
75 C2b C 21.9800 -9.0300
76 C2b C 23.1700 -9.7300
77 C1a C 24.3600 -9.0300
78 N1c N 26.2500 -17.6400
79 C5a C 27.4624 -16.9400
80 C1a C 25.0376 -16.9400
81 O5a O 28.6579 -17.6304
82 C1b C 22.9404 -14.9099
83 C1a C 24.1574 -15.6355
84 C1c C 27.4624 -15.5400
85 O2a O 28.7078 -14.9461
86 C1a C 25.9700 -12.2976
87 C1b C 29.3985 -13.7667
88 C1b C 30.7985 -13.7651
89 N1y N 31.4971 -12.5518
90 C1x C 32.8999 -12.5501
91 C1x C 33.5984 -11.3369
92 O2x O 32.8970 -10.1253
93 C1x C 31.4943 -10.1269
94 C1x C 30.7957 -11.3402
BOND 95
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 1 #Down
10 5 11 1
11 5 12 2
12 7 13 1
13 9 14 1 #Up
14 11 15 1
15 11 16 1 #Down
16 13 17 1
17 15 18 1
18 15 19 1
19 16 20 1
20 16 21 1
21 17 22 1
22 17 23 2
23 18 24 1
24 18 25 2
25 24 26 1
26 24 27 1 #Up
27 26 28 1
28 26 29 1
29 27 30 1
30 30 32 1
31 30 33 1
32 31 35 1
33 31 36 1 #Up
34 34 37 1
35 34 38 1 #Up
36 35 39 1
37 35 40 1
38 36 41 1
39 37 42 1
40 37 43 2
41 38 44 1
42 39 45 1
43 39 46 2
44 41 47 1
45 42 48 1
46 44 49 1
47 44 50 1
48 45 51 1
49 45 52 1 #Up
50 48 53 1
51 48 54 1 #Up
52 51 55 1
53 53 56 1
54 53 57 2
55 54 58 1
56 54 59 1
57 55 60 1
58 55 61 2
59 56 62 1
60 56 63 1
61 60 64 1
62 60 65 1 #Up
63 62 66 1
64 62 67 1 #Down
65 66 68 2
66 67 69 1
67 69 70 1
68 69 71 1
69 64 66 1
70 41 72 1
71 28 73 2
72 31 28 1
73 9 74 1
74 74 75 1
75 75 76 2
76 76 77 1
77 34 78 1
78 78 79 1
79 78 80 1
80 79 81 2
81 13 82 1 #Down
82 82 83 1
83 79 84 1
84 22 84 1
85 84 85 1 #Down
86 22 86 1
87 85 87 1
88 87 88 1
89 88 89 1
90 89 90 1
91 90 91 1
92 91 92 1
93 92 93 1
94 93 94 1
95 89 94 1
|
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