| Entry |
|
|---|
| Name |
Sirolimus (USAN/INN);
Rapamune (TN);
Rapamycin (TN)
|
|---|
| Product |
|
|---|
| Formula |
C51H79NO13
|
|---|
| Exact mass |
913.5551
|
|---|
| Mol weight |
914.1719
|
|---|
| Structure |
     |
|---|
| Sequence |
0 Ska 1 Mtk 2 Man 3 Mtd 4 Mtk 5 Man 6 Mte 7 Mtd 8 Mad
9 Mad 10 Mtk 11 Mak 12 Mae 13 Mtn 14 Man 15 Pip |
|---|
| Type |
PK |
|---|
| Source |
Streptomyces hygroscopicus [TAX: 1912]
|
|---|
| Activity |
|
|---|
| Remark |
|
|---|
| Target |
mammalian target of rapamycin (mTOR) inhibitor [HSA: 2475] [KO: K07203] |
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A [KO: K07424]
Transporter: ABCB1 [HSA: 5243]
|
|---|
| Interaction |
|
|---|
| Pathway map |
|
|---|
| Structure map |
| Antineoplastics - agents from natural products | | Immunosuppressive agents |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L04 IMMUNOSUPPRESSANTS
L04A IMMUNOSUPPRESSANTS
L04AA Selective immunosuppressants
L04AA10 Sirolimus
D00753 Sirolimus (USAN/INN)
USP drug classification [BR:br08302]
Immunological Agents
Immune Suppressants
Non-TNF Blockers
Sirolimus
D00753 Sirolimus (USAN/INN)
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine protein kinases: Others
PIKK family
mammalian target of rapamycin (mTOR) [HSA:2475] [KO:K07203]
Sirolimus [ATC:L04AA10]
D00753 Sirolimus (USAN/INN)
 |
|---|
| Other DBs |
CAS: 53123-88-9 PubChem: DrugBank: PDB-CCD: LigandBox: NIKKAJI: |
|---|
| KCF data |
ATOM 65
1 N1y N 29.3831 -21.8402
2 C1y C 30.5814 -21.1478
3 C5a C 29.3715 -23.2362
4 C1x C 28.1732 -21.1478
5 C7a C 31.7856 -21.8459
6 C1x C 30.5814 -19.7517
7 C5a C 28.1556 -23.9343
8 O5a O 30.5697 -23.9518
9 C1x C 28.1732 -19.7517
10 O7a O 32.9957 -21.1595
11 O6a O 31.7915 -22.9628
12 C1x C 29.3831 -19.0420
13 C1z C 28.1440 -25.3304
14 O5a O 26.9399 -23.2304
15 C1c C 34.2056 -21.8518
16 O2x O 29.3541 -26.0284
17 C1y C 26.7188 -26.0227
18 O1a O 28.1383 -26.7325
19 C1c C 35.4157 -21.1654
20 C1b C 34.2056 -23.2478
21 C1y C 29.3425 -27.4363
22 C1x C 26.7770 -27.4130
23 C1a C 25.4973 -25.3187
24 C1b C 36.6255 -21.8633
25 C1a C 35.4098 -19.7633
26 C5a C 35.4157 -23.9401
27 C1b C 30.5350 -28.1401
28 C1x C 28.1207 -28.1285
29 C1y C 37.8298 -21.1595
30 C1c C 35.4157 -25.3304
31 O5a O 36.6255 -23.2304
32 C1c C 30.5291 -29.5305
33 C1x C 39.0396 -21.8518
34 C1x C 37.8181 -19.7576
35 C2b C 36.6255 -26.0227
36 C1a C 34.1998 -26.0227
37 C2c C 31.7333 -30.2343
38 O2a O 29.3133 -30.2170
39 C1y C 40.2497 -21.1537
40 C1x C 39.0280 -19.0536
41 C2c C 36.6255 -27.4130
42 C2b C 31.7216 -31.6248
43 C1a C 32.9375 -29.5305
44 C1a C 29.3075 -31.6189
45 C1y C 40.2438 -19.7517
46 O2a O 41.4539 -21.8459
47 C1c C 37.8298 -28.1110
48 C1a C 35.4098 -28.1110
49 C2b C 32.9258 -32.3343
50 O1a O 41.4539 -19.0420
51 C1a C 42.6638 -21.1421
52 C1c C 37.8298 -29.5013
53 O1a O 39.0339 -27.4013
54 C2b C 32.9200 -33.7247
55 C5a C 39.0339 -30.1878
56 O2a O 36.6139 -30.1878
57 C2b C 34.1183 -34.4286
58 C1c C 39.0339 -31.5839
59 O5a O 40.2438 -29.4897
60 C1a C 36.6082 -31.5899
61 C2b C 35.3282 -33.7247
62 C1b C 37.8298 -32.2819
63 C1a C 40.2438 -32.2819
64 C1c C 36.7303 -33.7247
65 C1a C 37.0850 -35.0743
BOND 68
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1 #Up
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 1
12 7 13 1
13 7 14 2
14 10 15 1
15 13 16 1 #Down
16 13 17 1
17 13 18 1 #Up
18 15 19 1
19 15 20 1
20 21 16 1 #Down
21 17 22 1
22 17 23 1 #Up
23 19 24 1
24 19 25 1 #Down
25 20 26 1
26 21 27 1
27 21 28 1
28 24 29 1
29 26 30 1
30 26 31 2
31 27 32 1
32 29 33 1
33 29 34 1
34 30 35 1
35 30 36 1 #Up
36 32 37 1
37 32 38 1 #Up
38 33 39 1
39 34 40 1
40 35 41 2
41 37 42 2
42 37 43 1
43 38 44 1
44 39 45 1
45 39 46 1 #Down
46 41 47 1
47 41 48 1
48 42 49 1
49 45 50 1 #Up
50 46 51 1
51 47 52 1
52 47 53 1 #Up
53 49 54 2
54 52 55 1
55 52 56 1 #Down
56 54 57 1
57 55 58 1
58 55 59 2
59 56 60 1
60 57 61 2
61 58 62 1
62 58 63 1 #Down
63 61 64 1
64 64 65 1 #Down
65 9 12 1
66 22 28 1
67 40 45 1
68 62 64 1
|
|---|
