Entry |
|
Name |
AP 23573;
42-(Dimethylphosphinate)rapamycin;
Deforolimus
|
Formula |
C53H84NO14P
|
Exact mass |
989.5629
|
Mol weight |
990.2061
|
Structure |
|
Remark |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EG Mammalian target of rapamycin (mTOR) kinase inhibitors
L01EG03 Ridaforolimus
D08900 Ridaforolimus (JAN/USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01597 mTOR inhibitor
D08900 Ridaforolimus
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
MTOR
D08900 Ridaforolimus (JAN/USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 69
1 N1y N 28.4650 -22.5237
2 C1y C 29.6538 -21.8244
3 C5a C 28.4650 -23.9224
4 C1x C 27.2063 -21.8244
5 C7a C 30.8425 -22.5237
6 C1x C 29.6538 -20.4259
7 C5a C 27.2063 -24.6216
8 O5a O 29.6538 -24.6216
9 C1x C 27.2063 -20.4259
10 O7a O 32.0314 -21.8244
11 O6a O 30.8425 -23.6426
12 C1x C 28.4650 -19.6567
13 C1z C 27.2063 -26.0202
14 O5a O 26.0175 -23.8524
15 C1c C 33.2902 -22.5237
16 O2x O 28.3950 -26.7196
17 C1y C 25.9475 -26.7196
18 O1a O 27.2063 -27.4188
19 C1c C 34.4789 -21.8244
20 C1b C 33.2902 -23.9224
21 C1y C 28.3950 -28.1181
22 C1x C 25.9475 -28.0482
23 C1a C 24.7587 -25.9503
24 C1b C 35.7377 -22.5237
25 C1a C 34.4789 -20.4259
26 C5a C 34.4789 -24.6216
27 C1b C 29.5839 -28.8174
28 C1x C 27.2063 -28.8174
29 C1y C 36.9265 -21.8244
30 C1c C 34.4789 -26.0202
31 O5a O 35.7377 -23.8524
32 C1c C 29.5839 -30.2160
33 C1x C 38.1152 -22.5237
34 C1x C 36.9265 -20.4259
35 C2b C 35.7377 -26.7196
36 C1a C 33.2902 -26.7196
37 C2c C 30.7727 -30.9153
38 O2a O 28.3950 -30.9153
39 C1y C 39.3040 -21.8244
40 C1x C 38.1152 -19.7266
41 C2c C 35.7377 -28.0482
42 C2b C 30.7727 -32.3139
43 C1a C 32.0314 -30.2160
44 C1a C 28.3950 -32.3139
45 C1y C 39.3040 -20.4259
46 O2a O 40.5627 -22.5237
47 C1c C 36.9265 -28.7474
48 C1a C 34.4789 -28.7474
49 C2b C 31.9615 -33.0132
50 O2b O 40.5627 -19.6567
51 C1c C 36.9265 -30.1461
52 O1a O 38.1152 -28.0482
53 C2b C 31.9615 -34.4118
54 C5a C 38.1152 -30.8454
55 O2a O 35.6677 -30.8454
56 C2b C 33.2202 -35.1111
57 C1c C 38.1152 -32.2439
58 O5a O 39.3040 -30.1461
59 C1a C 35.6677 -32.2439
60 C2b C 34.4090 -34.4118
61 C1b C 36.9265 -32.9433
62 C1a C 39.3040 -32.9433
63 C1c C 35.8076 -34.4118
64 C1a C 36.1572 -35.7404
65 C1a C 40.5627 -23.9232
66 P1a P 41.9622 -19.6567
67 C1a C 43.3616 -19.6567
68 C1a C 41.9622 -21.0561
69 O3b O 41.9622 -18.2573
BOND 72
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 47 51 1
51 47 52 1 #Up
52 49 53 2
53 51 54 1
54 51 55 1 #Down
55 53 56 1
56 54 57 1
57 54 58 2
58 55 59 1
59 56 60 2
60 57 61 1
61 57 62 1 #Down
62 60 63 1
63 63 64 1 #Down
64 9 12 1
65 22 28 1
66 40 45 1
67 61 63 1
68 46 65 1
69 50 66 1
70 66 67 1
71 66 68 1
72 66 69 2
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