Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Somatostatin
SSTR2
D12907 Actinium Ac 225 dotatate (USAN)
Other DBs
CAS:
2864473-30-1
LinkDB
KCF data
ATOM 101
1 C1x C 9.3824 -18.2060
2 N1y N 8.6822 -19.4664
3 N1y N 11.4831 -19.4664
4 C1x C 10.7829 -18.2060
5 C1x C 7.4918 -20.1666
6 C1x C 7.4918 -21.5671
7 N1y N 8.6822 -22.2673
8 N1y N 11.4831 -22.2673
9 C1x C 12.7435 -21.5671
10 C1x C 12.7435 -20.1666
11 C1x C 9.3824 -23.4577
12 C1x C 10.7829 -23.4577
13 C1b C 7.7018 -18.4861
14 C6a C 8.0520 -17.1557
15 O6a O 9.3824 -16.7355 #-
16 O6a O 7.0716 -16.1753
17 C6a C 6.3014 -22.2673
18 C1b C 7.4918 -22.9676
19 O6a O 5.1110 -22.9676
20 O6a O 6.3014 -20.8669 #-
21 C1b C 12.4634 -23.2477
22 C6a C 12.1133 -24.5781
23 O6a O 10.7829 -24.9282 #-
24 O6a O 13.0936 -25.6284
25 C1b C 12.6735 -18.7662
26 C5a C 13.8639 -19.4664
27 N1b N 15.0543 -18.7662
28 O5a O 13.8639 -20.8669
29 C1c C 16.2447 -19.4664
30 C5a C 17.4351 -18.7662
31 C1b C 16.2447 -20.8669
32 C8y C 17.4351 -21.5671
33 O5a O 18.6254 -19.4664
34 N1b N 17.4351 -17.3657
35 C8x C 17.4351 -22.9676
36 C8x C 18.6254 -23.6678
37 C8x C 19.8859 -22.9676
38 C8x C 19.8859 -21.5671
39 C8x C 18.6955 -20.8669
40 C1y C 18.6254 -16.6655
41 C1x C 19.8158 -17.3657
42 S3x S 21.0062 -16.6655
43 S3x S 22.1966 -17.3657
44 C5x C 18.6254 -15.2650
45 N1x N 19.8158 -14.5648
46 O5x O 17.4351 -14.5648
47 C1y C 19.8158 -13.1643
48 C5x C 21.0062 -12.4641
49 C1b C 18.6254 -12.4641
50 C8y C 18.6254 -11.0636
51 C8x C 19.8158 -10.3634
52 C8x C 19.8158 -8.9630
53 C8y C 18.6254 -8.2627
54 C8x C 17.3650 -8.9630
55 C8x C 17.3650 -10.3634
56 O1a O 18.6254 -6.8623
57 N1x N 22.2666 -13.1643
58 O5x O 21.0062 -11.0636
59 C1y C 23.4570 -12.4641
60 C5x C 24.6474 -13.1643
61 C1b C 23.4570 -11.0636
62 C8y C 24.6474 -10.3634
63 C8x C 25.9078 -10.9236
64 N4x N 26.8181 -9.9433
65 C8y C 26.1879 -8.7529
66 C8y C 24.7875 -9.0330
67 C8x C 26.6081 -7.4224
68 C8x C 25.6278 -6.3721
69 C8x C 24.2973 -6.6522
70 C8x C 23.8772 -7.9826
71 N1x N 25.8378 -12.4641
72 O5x O 24.6474 -14.5648
73 C1y C 27.3083 -13.1643
74 C1x C 23.5971 -17.3657
75 C1y C 24.2973 -18.5561
76 N1x N 25.6978 -18.5561
77 C5x C 26.3980 -17.3657
78 C5a C 23.5971 -19.7465
79 O5a O 22.1966 -19.7465
80 N1b N 24.2973 -20.9369
81 C1y C 27.7985 -17.3657
82 N1x N 28.4987 -16.1753
83 O5x O 25.6978 -16.1753
84 C1c C 28.4987 -18.5561
85 C1a C 29.8992 -18.5561
86 O1a O 27.7985 -19.7465
87 C5x C 28.4987 -14.7749
88 C1b C 27.9385 -12.1140
89 O5x O 29.8291 -14.2147
90 C1b C 29.3390 -12.1140
91 C1b C 30.0392 -10.9236
92 C1b C 31.4397 -10.9236
93 N1a N 32.2099 -9.7332
94 C1c C 23.5971 -22.1273
95 C1c C 22.1966 -22.1273
96 C6a C 24.2973 -23.3177
97 O6a O 25.6978 -23.3177 #-
98 O6a O 23.5971 -24.5081
99 C1a C 21.4964 -20.9369
100 O1a O 21.4964 -23.3177
101 Z Ac 9.7325 -21.0769 #3+
BOND 105
1 1 2 1
2 3 4 1
3 1 4 1
4 5 6 1
5 6 7 1
6 2 5 1
7 8 9 1
8 9 10 1
9 10 3 1
10 7 11 1
11 11 12 1
12 12 8 1
13 2 13 1
14 13 14 1
15 14 15 1
16 14 16 2
17 17 18 1
18 18 7 1
19 17 19 2
20 17 20 1
21 8 21 1
22 21 22 1
23 22 23 1
24 22 24 2
25 25 26 1
26 25 3 1
27 26 27 1
28 26 28 2
29 27 29 1
30 29 30 1
31 29 31 1 #Up
32 31 32 1
33 30 33 2
34 30 34 1
35 32 35 2
36 35 36 1
37 36 37 2
38 37 38 1
39 38 39 2
40 32 39 1
41 40 41 1
42 40 34 1 #Down
43 41 42 1
44 42 43 1
45 40 44 1
46 44 45 1
47 44 46 2
48 45 47 1
49 47 48 1
50 47 49 1 #Down
51 49 50 1
52 50 51 2
53 51 52 1
54 52 53 2
55 53 54 1
56 54 55 2
57 50 55 1
58 53 56 1
59 48 57 1
60 48 58 2
61 57 59 1
62 59 60 1
63 59 61 1 #Down
64 61 62 1
65 62 63 2
66 63 64 1
67 64 65 1
68 65 66 1
69 62 66 1
70 65 67 2
71 67 68 1
72 68 69 2
73 69 70 1
74 66 70 2
75 60 71 1
76 60 72 2
77 71 73 1
78 43 74 1
79 74 75 1
80 75 76 1
81 76 77 1
82 75 78 1 #Down
83 78 79 2
84 78 80 1
85 77 81 1
86 81 82 1
87 77 83 2
88 81 84 1
89 84 85 1
90 84 86 1 #Up
91 82 87 1
92 87 73 1
93 73 88 1 #Up
94 87 89 2
95 88 90 1
96 90 91 1
97 91 92 1
98 92 93 1
99 94 80 1 #Down
100 94 95 1
101 94 96 1
102 96 97 1
103 96 98 2
104 95 99 1
105 95 100 1 #Down