| Entry |
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| Name |
Atilmotin (USAN/INN) |
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| Formula |
C86H135N20O19
|
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| Exact mass |
1752.0212
|
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| Mol weight |
1753.11
|
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| Structure |
|
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| Efficacy |
Prokinetic, Motilin receptor agonist |
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| Comment |
Intended for use in the stimulation of gastrointestinal motility
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Motilin
MLNR
D03216 Atilmotin (USAN/INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 125
1 C1b C 7.8400 -3.7800
2 C8y C 9.0300 -4.4800
3 C1c C 6.5800 -4.4800
4 C8x C 9.0300 -5.8800
5 C8x C 10.2900 -6.5800
6 C8x C 11.4800 -5.8800
7 C8x C 11.4800 -4.4800
8 C8x C 10.2900 -3.7800
9 N1d N 5.3900 -3.7800 #+
10 C1a C 4.2000 -4.4800
11 C1a C 5.3900 -2.3100
12 C1a C 4.2000 -3.0800
13 C5a C 6.5800 -5.8800
14 N1b N 5.3900 -6.5800
15 O5a O 7.8400 -6.5800
16 C1c C 5.3900 -7.9800
17 C1c C 4.2000 -8.6800
18 C1a C 3.0100 -7.9800
19 C1a C 4.2000 -10.0800
20 C5a C 6.5800 -8.6800
21 O5a O 7.8400 -7.9800
22 N1y N 6.5800 -10.0800
23 C1x C 5.4600 -10.9200
24 C1x C 5.8800 -12.2500
25 C1x C 7.2800 -12.2500
26 C1y C 7.8400 -10.9200
27 C5a C 9.0300 -10.2200
28 N1b N 10.2200 -10.9200
29 O5a O 9.0300 -8.8200
30 C1c C 11.4100 -10.2200
31 C5a C 12.6000 -10.9200
32 N1b N 13.7900 -10.2200
33 O5a O 12.6000 -12.3200
34 C1c C 11.4100 -8.8200
35 C1a C 10.1500 -8.1900
36 C1b C 12.6000 -8.0500
37 C1a C 13.8600 -8.6800
38 C1c C 14.9800 -10.9200
39 C5a C 16.2400 -10.2200
40 C1b C 14.9800 -12.3200
41 C8y C 16.1700 -13.0200
42 C8x C 16.1700 -14.4200
43 C8x C 17.3600 -15.1200
44 C8x C 18.6200 -14.4200
45 C8x C 18.6200 -13.0200
46 C8x C 17.4300 -12.3200
47 N1b N 17.4300 -10.9900
48 O5a O 16.2400 -8.8200
49 C1c C 18.6200 -10.2900
50 C5a C 19.8100 -10.9900
51 C1c C 18.6200 -8.8900
52 C1a C 19.8100 -8.1900
53 O1a O 17.4300 -8.1900
54 N1b N 21.0000 -10.2900
55 O5a O 19.8100 -12.3900
56 C1c C 22.1900 -10.9900
57 C1b C 23.4500 -10.2900
58 C5a C 22.1900 -12.3900
59 O5a O 21.0000 -13.0900
60 N1b N 23.3800 -13.0900
61 C8y C 23.4500 -8.8900
62 C8x C 24.6400 -8.1900
63 C8x C 24.6400 -6.7900
64 C8y C 23.4500 -6.0900
65 C8x C 22.2600 -6.7900
66 C8x C 22.2600 -8.1900
67 O1a O 23.4500 -4.6900
68 C1b C 24.6400 -12.3900
69 C5a C 25.8300 -13.1600
70 N1b N 27.0200 -12.4600
71 O5a O 25.8300 -14.5600
72 C1c C 28.2800 -13.1600
73 C5a C 29.4700 -12.4600
74 C1b C 28.2100 -14.5600
75 N1b N 30.6600 -13.1600
76 O5a O 29.4700 -11.0600
77 C1c C 31.8500 -12.4600
78 C5a C 33.0400 -13.1600
79 C1b C 31.8500 -11.0600
80 C1c C 33.0400 -10.3600
81 C1a C 34.2300 -11.0600
82 C1a C 33.0400 -8.9600
83 N1b N 34.3000 -12.3900
84 O5a O 33.0400 -14.5600
85 C1b C 27.0200 -15.1900
86 C6a C 27.0200 -16.5900
87 O6a O 25.7600 -17.2900
88 O6a O 28.2100 -17.2900
89 C1c C 35.4900 -13.0900
90 C5a C 36.6800 -12.3900
91 C1b C 35.4900 -14.4900
92 C1b C 36.6800 -15.1900
93 C5a C 36.6800 -16.5900
94 N1a N 37.8700 -17.2900
95 O5a O 35.4900 -17.2900
96 N1b N 37.8700 -13.0900
97 O5a O 36.6800 -10.9900
98 C1c C 39.1300 -12.3900
99 C5a C 40.3200 -13.1600
100 C1b C 39.1300 -10.9900
101 N1b N 41.5100 -12.4600
102 O5a O 40.3200 -14.5600
103 C1b C 37.9400 -10.2900
104 C1b C 37.9400 -8.8900
105 N1b N 36.7500 -8.1900
106 C2c C 35.5600 -8.8900
107 N1a N 34.3000 -8.1900
108 N2a N 35.5600 -10.2900
109 C1c C 42.7700 -13.1600
110 C5a C 43.9600 -12.4600
111 C1b C 42.7000 -14.5600
112 C1c C 43.9600 -15.2600
113 C1a C 45.1500 -14.5600
114 C1a C 43.9600 -16.6600
115 N1b N 45.1500 -13.1600
116 O5a O 43.9600 -11.0600
117 C1c C 46.3400 -12.4600
118 C5a C 47.5300 -13.2300
119 C1b C 46.3400 -11.0600
120 N1a N 48.7900 -12.5300
121 O5a O 47.5300 -14.6300
122 C1b C 45.1500 -10.3600
123 C1b C 45.1500 -8.9600
124 C1b C 43.9600 -8.2600
125 N1a N 42.7700 -8.9600
BOND 128
1 1 2 1
2 3 1 1 #Up
3 2 4 2
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 2
8 2 8 1
9 3 9 1
10 9 10 1
11 9 11 1
12 9 12 1
13 3 13 1
14 13 14 1
15 13 15 2
16 16 14 1 #Down
17 16 17 1
18 17 18 1
19 17 19 1
20 16 20 1
21 20 21 2
22 20 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 22 26 1
28 27 28 1
29 26 27 1 #Down
30 27 29 2
31 28 30 1
32 30 31 1
33 31 32 1
34 31 33 2
35 30 34 1
36 34 35 1 #Up
37 34 36 1
38 36 37 1
39 32 38 1
40 38 39 1
41 38 40 1 #Down
42 40 41 1
43 41 42 2
44 42 43 1
45 43 44 2
46 44 45 1
47 45 46 2
48 41 46 1
49 39 47 1
50 39 48 2
51 47 49 1
52 49 50 1
53 49 51 1
54 51 52 1
55 51 53 1 #Down
56 50 54 1
57 50 55 2
58 54 56 1
59 56 57 1
60 56 58 1 #Up
61 58 59 2
62 58 60 1
63 57 61 1
64 61 62 2
65 62 63 1
66 63 64 2
67 64 65 1
68 65 66 2
69 61 66 1
70 64 67 1
71 60 68 1
72 68 69 1
73 69 70 1
74 69 71 2
75 70 72 1
76 72 73 1
77 72 74 1 #Down
78 73 75 1
79 73 76 2
80 75 77 1
81 77 78 1
82 77 79 1 #Up
83 79 80 1
84 80 81 1
85 80 82 1
86 78 83 1
87 78 84 2
88 74 85 1
89 85 86 1
90 86 87 1
91 86 88 2
92 83 89 1
93 89 90 1
94 89 91 1 #Down
95 91 92 1
96 92 93 1
97 93 94 1
98 93 95 2
99 90 96 1
100 90 97 2
101 96 98 1
102 98 99 1
103 98 100 1 #Down
104 99 101 1
105 99 102 2
106 100 103 1
107 103 104 1
108 104 105 1
109 105 106 1
110 106 107 1
111 106 108 2
112 101 109 1
113 109 110 1
114 109 111 1 #Down
115 111 112 1
116 112 113 1
117 112 114 1
118 110 115 1
119 110 116 2
120 115 117 1
121 117 118 1
122 117 119 1 #Up
123 118 120 1
124 118 121 2
125 119 122 1
126 122 123 1
127 123 124 1
128 124 125 1
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