| Entry |
|
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| Name |
Tacrolimus (INN);
Prograf (TN) |
|---|
| Formula |
C44H69NO12
|
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| Exact mass |
803.4820
|
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| Mol weight |
804.02
|
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| Structure |
|
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| Simcomp |
|
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| Sequence |
0 Ska 1 Mtk 2 Mtk 3 Man 4 Pyd 5 Mte 6 Mte 7 Mak 8 Mae
9 Mtn 10 Man 11 Pip |
|---|
| Type |
PKNRP |
|---|
| Source |
Streptomyces tsukubaensis [TAX: 83656]
|
|---|
| Class |
Immunological agent
DG03129 Calcineurin inhibitor
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00439): | D00107<JP/US> |
|
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| Efficacy |
Antiallergic, Immunosuppressant, Calcineurin inhibitor |
|---|
| Comment |
Tacrolimus and FK506 binding protein (FKBP12/12.6) [HSA: 2280 2281] [KO: K09568] inhibit calcineurin.
|
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| Target |
|
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| Pathway |
| hsa04650 | Natural killer cell mediated cytotoxicity |
| hsa04658 | Th1 and Th2 cell differentiation |
| hsa04660 | T cell receptor signaling pathway |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
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| Interaction |
|
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| Structure map |
| map07050 | Antirheumatics - DMARDs and biological agents |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D11 OTHER DERMATOLOGICAL PREPARATIONS
D11A OTHER DERMATOLOGICAL PREPARATIONS
D11AH Agents for dermatitis, excluding corticosteroids
D11AH01 Tacrolimus
D08556 Tacrolimus (INN)
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L04 IMMUNOSUPPRESSANTS
L04A IMMUNOSUPPRESSANTS
L04AD Calcineurin inhibitors
L04AD02 Tacrolimus
D08556 Tacrolimus (INN)
Drug groups [BR:br08330]
Immunological agent
DG03129 Calcineurin inhibitor
DG00439 Tacrolimus
D08556 Tacrolimus
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG00439 Tacrolimus
D08556 Tacrolimus
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00439 Tacrolimus
D08556 Tacrolimus
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphatases
PPP3C/PPP3R/CHP
D08556 Tacrolimus (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08556
Drug groups [BR:br08330]
Immunological agent
DG03129 Calcineurin inhibitor
DG00439 Tacrolimus
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG00439 Tacrolimus
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00439 Tacrolimus
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 57
1 C2c C 22.4000 -12.4600
2 C2b C 22.4000 -11.0600
3 C1y C 21.2100 -10.2900
4 C1x C 21.2100 -8.8900
5 C1x C 19.9500 -8.1900
6 C1y C 18.7600 -8.8900
7 C1y C 18.7600 -10.2900
8 C1x C 19.9500 -11.0600
9 O2a O 17.5700 -11.0600
10 O1a O 17.5700 -8.1900
11 C1a C 16.3800 -10.2900
12 C1c C 23.5900 -13.1600
13 C1a C 21.2100 -13.1600
14 C1c C 24.7800 -12.4600
15 C1c C 25.9700 -13.1600
16 C1b C 25.9700 -14.5600
17 C5a C 27.3000 -15.1200
18 C1c C 27.9300 -16.4500
19 C2b C 27.2300 -17.7100
20 C2c C 25.9700 -18.4100
21 C1a C 24.7800 -17.7100
22 C1b C 25.9700 -19.8100
23 C1c C 24.7800 -20.5100
24 C1a C 23.5900 -19.8100
25 C1b C 25.4800 -21.7000
26 C1c C 24.5000 -22.7500
27 C1y C 23.1700 -22.4000
28 C1y C 22.1900 -23.3800
29 C1x C 20.8600 -23.0300
30 C1y C 20.5100 -21.7000
31 C1z C 21.4900 -20.7200
32 O2x O 22.8200 -21.0700
33 O2a O 22.5400 -24.7100
34 O2a O 24.8500 -24.0800
35 C1a C 26.1800 -24.5000
36 C1a C 21.5600 -25.6900
37 O1a O 22.6800 -20.0900
38 C5a C 20.7900 -19.5300
39 C5a C 21.4900 -18.2700
40 N1y N 20.7900 -17.0800
41 C1x C 19.3900 -17.0800
42 C1y C 21.4900 -15.8900
43 C1x C 20.7900 -14.6300
44 C1x C 19.3900 -14.6300
45 C1x C 18.6900 -15.8200
46 O5a O 22.8900 -18.2700
47 O5a O 19.3900 -19.5300
48 C1a C 19.1100 -21.3500
49 C7a C 22.8900 -15.8900
50 O6a O 23.5900 -17.0800
51 O7a O 23.5900 -14.6300
52 C1a C 24.7800 -11.0600
53 O1a O 27.1600 -12.4600
54 O5a O 28.3500 -14.3500
55 C1b C 29.3300 -16.4500
56 C2b C 30.1000 -15.3300
57 C2a C 31.4300 -15.2600
BOND 60
1 1 2 2
2 3 2 1 #Up
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 3 8 1
9 7 9 1 #Up
10 6 10 1 #Down
11 9 11 1
12 1 12 1
13 1 13 1
14 12 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 2
21 20 21 1
22 20 22 1
23 22 23 1
24 23 24 1 #Up
25 23 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 32 27 1
34 28 33 1 #Up
35 26 34 1 #Down
36 34 35 1
37 33 36 1
38 31 37 1 #Up
39 31 38 1
40 38 39 1
41 41 40 1
42 40 42 1
43 42 43 1
44 43 44 1
45 44 45 1
46 41 45 1
47 39 40 1
48 39 46 2
49 38 47 2
50 30 48 1 #Up
51 42 49 1
52 49 50 2
53 49 51 1
54 12 51 1 #Down
55 14 52 1 #Down
56 15 53 1 #Up
57 17 54 2
58 18 55 1 #Down
59 55 56 1
60 56 57 2
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