| Entry |
|
|---|
| Name |
Tacrolimus;
FK506;
FK 506
|
|---|
| Formula |
C44H69NO12
|
|---|
| Exact mass |
803.482
|
|---|
| Mol weight |
804.0182
|
|---|
| Structure |
|
|---|
| 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 |
|---|
| Gene |
|
|---|
| Organism |
Streptomyces sp. MA6548 |
|---|
| Type |
PKNRP |
|---|
| Remark |
|
|---|
| Comment |
4 Pyd is modified by vinyl. (allylmalonyl-CoA extension unit)
|
|---|
| Pathway |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C01375 Tacrolimus (FK506)
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
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 57
1 C2c C 19.9500 -13.0200
2 C2b C 19.9500 -11.6200
3 C1y C 18.7600 -10.9200
4 C1x C 18.7600 -9.5200
5 C1x C 17.5000 -8.8200
6 C1y C 16.3100 -9.5200
7 C1y C 16.3100 -10.9200
8 C1x C 17.5000 -11.6200
9 O2a O 15.1200 -11.6200
10 O1a O 15.1200 -8.8200
11 C1a C 13.9300 -10.9200
12 C1c C 21.1400 -13.7200
13 C1a C 18.7600 -13.7200
14 C1c C 22.3300 -13.0200
15 C1c C 23.5200 -13.7200
16 C1b C 23.5200 -15.1200
17 C5a C 24.8500 -15.6800
18 C1c C 25.4800 -17.0100
19 C2b C 24.7800 -18.2700
20 C2c C 23.5200 -18.9700
21 C1a C 22.3300 -18.2700
22 C1b C 23.5200 -20.3700
23 C1c C 22.3300 -21.0700
24 C1a C 21.1400 -20.3700
25 C1b C 23.0300 -22.2600
26 C1c C 22.0500 -23.3100
27 C1y C 20.7200 -22.9600
28 C1y C 19.7400 -23.9400
29 C1x C 18.4100 -23.5900
30 C1y C 18.0600 -22.2600
31 C1z C 19.0400 -21.2800
32 O2x O 20.3700 -21.6300
33 O2a O 20.0900 -25.2700
34 O2a O 22.4000 -24.6400
35 C1a C 23.7300 -25.0600
36 C1a C 19.1100 -26.2500
37 O1a O 20.2300 -20.6500
38 C5a C 18.3400 -20.0900
39 C5a C 19.0400 -18.8300
40 N1y N 18.3400 -17.6400
41 C1x C 16.9400 -17.6400
42 C1y C 19.0400 -16.4500
43 C1x C 18.3400 -15.1900
44 C1x C 16.9400 -15.1900
45 C1x C 16.2400 -16.3800
46 O5a O 20.4399 -18.8128
47 O5a O 16.9401 -20.1072
48 C1a C 16.7085 -21.8946
49 C7a C 20.4400 -16.4500
50 O6a O 21.1400 -17.6624
51 O7a O 21.1400 -15.2376
52 C1a C 22.3300 -11.6200
53 O1a O 24.7353 -13.0249
54 O5a O 25.8880 -14.9486
55 C1b C 26.8793 -17.0553
56 C2b C 27.6074 -15.8838
57 C2a C 28.9795 -15.8586
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
|
|---|
