Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03221 Zeteletinib
D12331 Zeteletinib adipate
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
RET family
RET
D12331 Zeteletinib adipate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03221 Zeteletinib
Other DBs
CAS:
2375837-06-0
LinkDB
KCF data
ATOM 82
1 C8y C 10.0789 -14.4192
2 C8y C 10.0789 -15.8188
3 C8x C 11.2686 -16.5186
4 C8y C 12.4583 -15.8188
5 C8y C 12.4583 -14.4192
6 C8x C 11.2686 -13.7194
7 C8x C 13.7179 -16.5186
8 C8y C 14.9076 -15.8188
9 C8x C 14.9076 -14.4192
10 N5x N 13.7179 -13.7194
11 O2a O 8.8192 -13.7194
12 C1a C 7.6295 -14.4192
13 O2a O 8.8192 -16.5186
14 C1a C 7.6295 -15.8188
15 C8y C 16.0973 -16.5186
16 C8x C 16.0973 -17.9183
17 C8x C 17.3570 -18.6881
18 C8y C 18.5467 -17.9183
19 C8x C 18.5467 -16.5186
20 N5x N 17.3570 -15.8188
21 C1b C 19.8063 -18.6181
22 C5a C 20.9960 -17.9883
23 N1b N 22.1857 -18.6181
24 O5a O 20.9960 -16.5186
25 C8y C 23.3754 -17.9883
26 C8x C 24.7050 -18.3382
27 C8y C 25.4748 -17.1485
28 N5x N 24.6350 -16.0988
29 O2x O 23.3054 -16.5886
30 C1d C 26.8745 -17.1485
31 C1d C 28.2741 -17.1485
32 C1a C 26.8745 -15.7489
33 C1a C 26.8745 -18.5481
34 X F 29.6737 -17.1485
35 X F 28.2741 -15.7489
36 X F 28.2741 -18.5481
37 C1b C 38.8482 -16.7756
38 C1b C 40.0469 -17.4808
39 C1b C 37.5790 -17.4808
40 C6a C 41.3162 -16.7756
41 C1b C 36.3803 -16.7756
42 O6a O 42.5148 -17.4808
43 O6a O 41.3167 -15.5064
44 C6a C 35.1111 -17.4808
45 O6a O 33.9124 -16.7756
46 O6a O 35.1111 -18.8910
47 C8y C 10.0789 -14.4192
48 C8y C 10.0789 -15.8188
49 C8x C 11.2686 -16.5186
50 C8y C 12.4583 -15.8188
51 C8y C 12.4583 -14.4192
52 C8x C 11.2686 -13.7194
53 N5x N 13.7179 -13.7194
54 C8x C 14.9076 -14.4192
55 C8y C 14.9076 -15.8188
56 C8x C 13.7179 -16.5186
57 C8y C 16.0973 -16.5186
58 C8x C 16.0973 -17.9183
59 C8x C 17.3570 -18.6881
60 C8y C 18.5467 -17.9183
61 C8x C 18.5467 -16.5186
62 N5x N 17.3570 -15.8188
63 C1b C 19.8063 -18.6181
64 C5a C 20.9960 -17.9883
65 N1b N 22.1857 -18.6181
66 C8y C 23.3754 -17.9883
67 C8x C 24.7050 -18.3382
68 C8y C 25.4748 -17.1485
69 N5x N 24.6350 -16.0988
70 O2x O 23.3054 -16.5886
71 C1d C 26.8745 -17.1485
72 C1d C 28.2741 -17.1485
73 X F 29.6737 -17.1485
74 X F 28.2741 -15.7489
75 X F 28.2741 -18.5481
76 C1a C 26.8745 -15.7489
77 C1a C 26.8745 -18.5481
78 O5a O 20.9960 -16.5186
79 O2a O 8.8192 -16.5186
80 C1a C 7.6295 -15.8188
81 O2a O 8.8192 -13.7194
82 C1a C 7.6295 -14.4192
BOND 87
1 37 38 1
2 37 39 1
3 38 40 1
4 39 41 1
5 40 42 1
6 40 43 2
7 41 44 1
8 44 45 1
9 44 46 2
10 1 2 2
11 2 3 1
12 3 4 2
13 4 5 1
14 5 6 2
15 1 6 1
16 4 7 1
17 7 8 2
18 8 9 1
19 9 10 2
20 5 10 1
21 1 11 1
22 11 12 1
23 2 13 1
24 13 14 1
25 8 15 1
26 15 16 2
27 16 17 1
28 17 18 2
29 18 19 1
30 19 20 2
31 15 20 1
32 18 21 1
33 21 22 1
34 22 23 1
35 22 24 2
36 23 25 1
37 25 26 2
38 26 27 1
39 27 28 2
40 28 29 1
41 25 29 1
42 27 30 1
43 30 31 1
44 30 32 1
45 30 33 1
46 31 34 1
47 31 35 1
48 31 36 1
49 47 48 2
50 48 49 1
51 49 50 2
52 50 51 1
53 51 52 2
54 47 52 1
55 50 56 1
56 56 55 2
57 55 54 1
58 54 53 2
59 51 53 1
60 47 81 1
61 81 82 1
62 48 79 1
63 79 80 1
64 55 57 1
65 57 58 2
66 58 59 1
67 59 60 2
68 60 61 1
69 61 62 2
70 57 62 1
71 60 63 1
72 63 64 1
73 64 65 1
74 64 78 2
75 65 66 1
76 66 67 2
77 67 68 1
78 68 69 2
79 69 70 1
80 66 70 1
81 68 71 1
82 71 72 1
83 71 76 1
84 71 77 1
85 72 73 1
86 72 74 1
87 72 75 1
BRACKET 1 5.3200 -20.9300 5.3200 -12.6700
1 30.5200 -12.6700 30.5200 -20.9300
1 2
ORIGINAL 1 1 2 3 4 5 6 10 9 8 7 15 16 17 18 19 20
1 21 22 23 25 26 27 28 29 30 31 34 35 36 32 33 24
1 13 14 11 12
REPEAT 1 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62
1 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78
1 79 80 81 82
