| Entry |
|
|---|
| Name |
Xelafaslatide (USAN/INN) |
|---|
| Formula |
C71H100N18O16
|
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| Exact mass |
1460.7565
|
|---|
| Mol weight |
1461.66
|
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| Structure |
|
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| Sequence |
HHIYLGAVNY IY |
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| Type |
Peptide |
|---|
| Efficacy |
Fas receptor antagonist |
|---|
| Comment |
Treatment for macula-off rhegmatogenous retinal detachment, geographic atrophy associated with age-related macular degeneration and open-angle glaucoma
|
|---|
| Target |
|
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| Pathway |
| hsa04650 | Natural killer cell mediated cytotoxicity |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
Signaling molecules and receptors
Cytokine receptors
Tumor necrosis factor receptors
TNFRSF6 (FAS, CD95)
D13325 Xelafaslatide (USAN/INN)
|
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| Other DBs |
|
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| KCF data |
ATOM 105
1 C1b C 8.0500 -13.8600
2 C1c C 9.2624 -14.5600
3 C8y C 6.8376 -14.5600
4 C8x C 5.5774 -13.9988
5 N4x N 4.6543 -15.0239
6 C8x C 5.3439 -16.2186
7 N5x N 6.6932 -15.9319
8 C5a C 10.4579 -13.8696
9 N1b N 11.6453 -14.5551
10 O5a O 10.4580 -12.4603
11 C1c C 12.8365 -13.8671
12 C5a C 14.0260 -14.5538
13 C1b C 12.8365 -12.4603
14 C8y C 14.0290 -11.7715
15 N5x N 15.2796 -12.3281
16 C8x C 16.1953 -11.3108
17 N4x N 15.5108 -10.1254
18 C8x C 14.1719 -10.4102
19 N1b N 15.2161 -13.8665
20 C1c C 16.4062 -14.5535
21 O5a O 14.0262 -15.9598
22 C5a C 17.5960 -13.8663
23 N1b N 18.7862 -14.5534
24 O5a O 17.5960 -12.4602
25 C1c C 16.4064 -15.9598
26 C1b C 17.5991 -16.6483
27 C1a C 15.1743 -16.6715
28 C1a C 18.7846 -15.9637
29 C1c C 19.9760 -13.8662
30 C5a C 21.1662 -14.5534
31 C1b C 19.9760 -12.4602
32 C8y C 21.1689 -11.7714
33 C8x C 22.3547 -12.4560
34 C8x C 23.5672 -11.7560
35 C8y C 23.5672 -10.3560
36 C8x C 22.3813 -9.6714
37 C8x C 21.1689 -10.3714
38 N1a N 9.2625 -15.9598
39 O1a O 24.7948 -9.6470
40 N1b N 22.3560 -13.8662
41 O5a O 21.1665 -15.9597
42 C1c C 23.5462 -14.5534
43 C5a C 24.7360 -13.8662
44 N1b N 25.9262 -14.5534
45 O5a O 24.7360 -12.4602
46 C1b C 23.5465 -15.9597
47 C1c C 24.7391 -16.6483
48 C1a C 25.9246 -15.9637
49 C1a C 24.7394 -18.0597
50 C1b C 27.1160 -13.8662
51 C5a C 28.3062 -14.5534
52 N1b N 29.4960 -13.8662
53 O5a O 28.3065 -15.9597
54 C1c C 30.6862 -14.5534
55 C5a C 31.8760 -13.8662
56 C1a C 30.6865 -15.9597
57 N1b N 33.0662 -14.5534
58 O5a O 31.8760 -12.4602
59 C1c C 34.2560 -13.8663
60 C5a C 35.4462 -14.5534
61 C1c C 34.2560 -12.4602
62 C1a C 35.4489 -11.7713
63 C1a C 33.0241 -11.7488
64 N1b N 36.6360 -13.8663
65 O5a O 35.4465 -15.9597
66 C1c C 37.8262 -14.5534
67 C5a C 39.0160 -13.8663
68 C1b C 37.8265 -15.9598
69 C5a C 39.0191 -16.6483
70 N1a N 40.2046 -15.9638
71 O5a O 39.0194 -18.0597
72 N1b N 40.2062 -14.5534
73 O5a O 39.0160 -12.4602
74 C1c C 41.3960 -13.8663
75 C5a C 42.5862 -14.5534
76 C1b C 41.3960 -12.4602
77 C8y C 42.5889 -11.7713
78 C8x C 43.7748 -12.4559
79 C8x C 44.9872 -11.7558
80 C8y C 44.9871 -10.3558
81 C8x C 43.8012 -9.6712
82 C8x C 42.5888 -10.3713
83 O1a O 46.2147 -9.6467
84 N1b N 43.7760 -13.8663
85 O5a O 42.5864 -15.9598
86 C1c C 44.9662 -14.5534
87 C5a C 46.1560 -13.8663
88 N1b N 47.3462 -14.5534
89 O5a O 46.1560 -12.4602
90 C1c C 44.9664 -15.9598
91 C1b C 46.1591 -16.6483
92 C1a C 43.7343 -16.6715
93 C1a C 47.3446 -15.9638
94 C1c C 48.5360 -13.8663
95 C5a C 49.7262 -14.5534
96 N1a N 50.9160 -13.8663
97 O5a O 49.7264 -15.9598
98 C1b C 48.5361 -12.4602
99 C8y C 49.7289 -11.7713
100 C8x C 50.9148 -12.4559
101 C8x C 52.1272 -11.7558
102 C8y C 52.1271 -10.3558
103 C8x C 50.9412 -9.6712
104 C8x C 49.7288 -10.3713
105 O1a O 53.3547 -9.6467
BOND 109
1 1 2 1
2 1 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 6 7 2
7 3 7 1
8 2 8 1
9 8 9 1
10 8 10 2
11 9 11 1
12 11 12 1
13 11 13 1 #Up
14 13 14 1
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 1
19 14 18 2
20 12 19 1
21 20 19 1 #Down
22 12 21 2
23 20 22 1
24 22 23 1
25 22 24 2
26 20 25 1
27 25 26 1
28 25 27 1 #Down
29 26 28 1
30 23 29 1
31 29 30 1
32 29 31 1 #Up
33 31 32 1
34 32 33 2
35 33 34 1
36 34 35 2
37 35 36 1
38 36 37 2
39 32 37 1
40 2 38 1 #Up
41 35 39 1
42 30 40 1
43 30 41 2
44 40 42 1
45 42 43 1
46 43 44 1
47 43 45 2
48 42 46 1 #Down
49 46 47 1
50 47 48 1
51 47 49 1
52 44 50 1
53 50 51 1
54 51 52 1
55 51 53 2
56 52 54 1
57 54 55 1
58 54 56 1 #Down
59 55 57 1
60 55 58 2
61 57 59 1
62 59 60 1
63 59 61 1 #Up
64 61 62 1
65 61 63 1
66 60 64 1
67 60 65 2
68 64 66 1
69 66 67 1
70 66 68 1 #Down
71 68 69 1
72 69 70 1
73 69 71 2
74 67 72 1
75 67 73 2
76 72 74 1
77 74 75 1
78 74 76 1 #Up
79 76 77 1
80 77 78 2
81 78 79 1
82 79 80 2
83 80 81 1
84 81 82 2
85 77 82 1
86 80 83 1
87 75 84 1
88 75 85 2
89 86 84 1 #Down
90 86 87 1
91 87 88 1
92 87 89 2
93 86 90 1
94 90 91 1
95 90 92 1 #Down
96 91 93 1
97 88 94 1
98 94 95 1
99 95 96 1
100 95 97 2
101 94 98 1 #Up
102 98 99 1
103 99 100 2
104 100 101 1
105 101 102 2
106 102 103 1
107 103 104 2
108 99 104 1
109 102 105 1
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