| Entry |
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| Name |
Orbofiban acetate (USAN) |
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| Formula |
(C17H23N5O4. C2H4O2)4. H2O
|
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| Exact mass |
1702.7951
|
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| Mol weight |
1703.8056
|
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| Structure |
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| Class |
Blood modifier agent
DG01811 Fibrinogen receptor antagonist
|
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| Efficacy |
Antithrombotic, Platelet aggregation inhibitor, Glycoprotein IIb/IIIa receptor antagonist |
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| Target |
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| Pathway |
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| Brite |
Drug groups [BR:br08330]
Blood modifier agent
DG01811 Fibrinogen receptor antagonist
D05267 Orbofiban acetate
Target-based classification of drugs [BR:br08310]
Cell surface molecules and ligands
Cell adhesion molecules: other families
Integrins
ITGA2B/ITGB3
D05267 Orbofiban acetate (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 121
1 C8y C 21.9745 -16.8102
2 C8x C 21.9745 -18.2112
3 C8x C 23.1878 -18.9116
4 C8y C 24.4012 -18.2112
5 C8x C 24.4012 -16.8102
6 C8x C 23.1878 -16.1096
7 C2c C 20.7613 -16.1096
8 N1y N 25.6331 -18.9227
9 N1a N 19.5648 -16.8006
10 N2a N 20.7612 -14.7089
11 C1x C 26.0986 -20.2786
12 C1x C 27.5269 -20.3173
13 C1y C 27.9385 -18.8793
14 C5x C 26.7647 -18.0651
15 C5a C 30.3608 -18.8793
16 N1b N 29.1496 -18.1800
17 O5x O 26.7344 -16.6433
18 N1b N 31.5606 -18.1865
19 O5a O 30.3608 -20.2787
20 C1b C 32.7501 -18.8734
21 C1b C 33.9384 -18.1872
22 C7a C 35.1274 -18.8738
23 O7a O 36.3160 -18.1874
24 C1b C 37.5047 -18.8739
25 O6a O 35.1275 -20.2786
26 C1a C 38.6935 -18.1875
27 C6a C 35.8377 -15.8368
28 C1a C 37.0525 -16.5401
29 O6a O 34.6287 -16.5401
30 O6a O 35.8377 -14.4361
31 O0 O 39.0687 -21.7090
32 C8y C 21.9745 -16.8102
33 C8x C 21.9745 -18.2112
34 C8x C 23.1878 -18.9116
35 C8y C 24.4012 -18.2112
36 C8x C 24.4012 -16.8102
37 C8x C 23.1878 -16.1096
38 N1y N 25.6331 -18.9227
39 C1x C 26.0986 -20.2786
40 C1x C 27.5269 -20.3173
41 C1y C 27.9385 -18.8793
42 C5x C 26.7647 -18.0651
43 O5x O 26.7344 -16.6433
44 N1b N 29.1496 -18.1800
45 C5a C 30.3608 -18.8793
46 N1b N 31.5606 -18.1865
47 C1b C 32.7501 -18.8734
48 C1b C 33.9384 -18.1872
49 C7a C 35.1274 -18.8738
50 O7a O 36.3160 -18.1874
51 C1b C 37.5047 -18.8739
52 C1a C 38.6935 -18.1875
53 O6a O 35.1275 -20.2786
54 O5a O 30.3608 -20.2787
55 C2c C 20.7613 -16.1096
56 N1a N 19.5648 -16.8006
57 N2a N 20.7612 -14.7089
58 C6a C 35.8377 -15.8368
59 C1a C 37.0525 -16.5401
60 O6a O 34.6287 -16.5401
61 O6a O 35.8377 -14.4361
62 C8y C 21.9745 -16.8102
63 C8x C 21.9745 -18.2112
64 C8x C 23.1878 -18.9116
65 C8y C 24.4012 -18.2112
66 C8x C 24.4012 -16.8102
67 C8x C 23.1878 -16.1096
68 N1y N 25.6331 -18.9227
69 C1x C 26.0986 -20.2786
70 C1x C 27.5269 -20.3173
71 C1y C 27.9385 -18.8793
72 C5x C 26.7647 -18.0651
73 O5x O 26.7344 -16.6433
74 N1b N 29.1496 -18.1800
75 C5a C 30.3608 -18.8793
76 N1b N 31.5606 -18.1865
77 C1b C 32.7501 -18.8734
78 C1b C 33.9384 -18.1872
79 C7a C 35.1274 -18.8738
80 O7a O 36.3160 -18.1874
81 C1b C 37.5047 -18.8739
82 C1a C 38.6935 -18.1875
83 O6a O 35.1275 -20.2786
84 O5a O 30.3608 -20.2787
85 C2c C 20.7613 -16.1096
86 N1a N 19.5648 -16.8006
87 N2a N 20.7612 -14.7089
88 C6a C 35.8377 -15.8368
89 C1a C 37.0525 -16.5401
90 O6a O 34.6287 -16.5401
91 O6a O 35.8377 -14.4361
92 C8y C 21.9745 -16.8102
93 C8x C 21.9745 -18.2112
94 C8x C 23.1878 -18.9116
95 C8y C 24.4012 -18.2112
96 C8x C 24.4012 -16.8102
97 C8x C 23.1878 -16.1096
98 N1y N 25.6331 -18.9227
99 C1x C 26.0986 -20.2786
100 C1x C 27.5269 -20.3173
101 C1y C 27.9385 -18.8793
102 C5x C 26.7647 -18.0651
103 O5x O 26.7344 -16.6433
104 N1b N 29.1496 -18.1800
105 C5a C 30.3608 -18.8793
106 N1b N 31.5606 -18.1865
107 C1b C 32.7501 -18.8734
108 C1b C 33.9384 -18.1872
109 C7a C 35.1274 -18.8738
110 O7a O 36.3160 -18.1874
111 C1b C 37.5047 -18.8739
112 C1a C 38.6935 -18.1875
113 O6a O 35.1275 -20.2786
114 O5a O 30.3608 -20.2787
115 C2c C 20.7613 -16.1096
116 N1a N 19.5648 -16.8006
117 N2a N 20.7612 -14.7089
118 C6a C 35.8377 -15.8368
119 C1a C 37.0525 -16.5401
120 O6a O 34.6287 -16.5401
121 O6a O 35.8377 -14.4361
BOND 120
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 4 8 1
9 7 9 1
10 7 10 2
11 8 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 8 14 1
16 15 16 1
17 13 16 1 #Up
18 14 17 2
19 15 18 1
20 15 19 2
21 18 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 22 25 2
27 24 26 1
28 27 28 1
29 27 29 1
30 27 30 2
31 32 33 2
32 33 34 1
33 34 35 2
34 35 36 1
35 36 37 2
36 32 37 1
37 32 55 1
38 35 38 1
39 55 56 1
40 55 57 2
41 38 39 1
42 39 40 1
43 40 41 1
44 41 42 1
45 38 42 1
46 45 44 1
47 41 44 1 #Up
48 42 43 2
49 45 46 1
50 45 54 2
51 46 47 1
52 47 48 1
53 48 49 1
54 49 50 1
55 50 51 1
56 49 53 2
57 51 52 1
58 58 59 1
59 58 60 1
60 58 61 2
61 62 63 2
62 63 64 1
63 64 65 2
64 65 66 1
65 66 67 2
66 62 67 1
67 62 85 1
68 65 68 1
69 85 86 1
70 85 87 2
71 68 69 1
72 69 70 1
73 70 71 1
74 71 72 1
75 68 72 1
76 75 74 1
77 71 74 1 #Up
78 72 73 2
79 75 76 1
80 75 84 2
81 76 77 1
82 77 78 1
83 78 79 1
84 79 80 1
85 80 81 1
86 79 83 2
87 81 82 1
88 88 89 1
89 88 90 1
90 88 91 2
91 92 93 2
92 93 94 1
93 94 95 2
94 95 96 1
95 96 97 2
96 92 97 1
97 92 115 1
98 95 98 1
99 115 116 1
100 115 117 2
101 98 99 1
102 99 100 1
103 100 101 1
104 101 102 1
105 98 102 1
106 105 104 1
107 101 104 1 #Up
108 102 103 2
109 105 106 1
110 105 114 2
111 106 107 1
112 107 108 1
113 108 109 1
114 109 110 1
115 110 111 1
116 109 113 2
117 111 112 1
118 118 119 1
119 118 120 1
120 118 121 2
BRACKET 1 17.9200 -20.7900 17.9200 -13.7900
1 40.5300 -13.7900 40.5300 -20.7900
1 4
ORIGINAL 1 1 2 3 4 5 6 8 11 12 13 14 17 16 15 18 20
1 21 22 23 24 26 25 19 7 9 10 27 28 29 30
REPEAT 1 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47
1 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63
1 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79
1 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95
1 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111
1 112 113 114 115 116 117 118 119 120 121
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