| Entry |
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| Name |
Lifitegrast sodium (USAN) |
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| Formula |
C29H23Cl2N2O7S. Na
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| Exact mass |
636.0501
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| Mol weight |
637.4629
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| Structure |
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| Simcomp |
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| Remark |
| Product (DG01389): | D10374<US> |
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| Efficacy |
Anti-inflammatory, Lymphocyte function-associated antigen-1 antagonist |
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| Comment |
Treatment of ocular inflammatory diseases (keratoconjuctivitis sicca)
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| Target |
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| Pathway |
| hsa04650 | Natural killer cell mediated cytotoxicity |
| hsa04670 | Leukocyte transendothelial migration |
| hsa04810 | Regulation of actin cytoskeleton |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01X OTHER OPHTHALMOLOGICALS
S01XA Other ophthalmologicals
S01XA25 Lifitegrast
D10392 Lifitegrast sodium (USAN)
Target-based classification of drugs [BR:br08310]
Cell surface molecules and ligands
Cell adhesion molecules: other families
Integrins
ITGAL (CD11A)
D10392 Lifitegrast sodium (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 42
1 C8y C 26.7531 -15.1271
2 C8y C 26.7531 -13.7264
3 C8x C 25.5626 -13.0261
4 C8y C 24.3721 -13.7264
5 C8x C 24.3721 -15.1271
6 C8x C 25.5626 -15.8274
7 C8x C 28.0837 -15.5473
8 C8x C 28.9241 -14.4267
9 O2x O 28.0837 -13.3062
10 C5a C 23.1114 -13.0261
11 N1y N 21.8509 -13.7264
12 C1x C 20.6603 -13.0261
13 C8y C 19.3998 -13.7264
14 C8y C 19.3998 -15.1271
15 C1x C 20.5903 -15.8274
16 C1x C 21.8509 -15.1271
17 C8x C 18.2093 -13.0261
18 C8y C 17.0187 -13.7264
19 C8y C 17.0187 -15.1271
20 C8y C 18.2093 -15.8274
21 C5a C 15.7582 -15.8274
22 N1b N 14.5676 -15.1271
23 C1c C 13.3770 -15.8274
24 O5a O 23.1114 -11.6255
25 X Cl 18.2093 -17.2280
26 X Cl 15.7582 -13.0261
27 O5a O 15.7582 -17.2280
28 C1b C 12.1865 -15.1271
29 C6a C 13.3770 -17.2280
30 O6a O 14.5676 -17.9283 #-
31 O6a O 12.1865 -17.9283
32 C8y C 10.9960 -15.8274
33 C8x C 9.8055 -15.1271
34 C8x C 8.5449 -15.8274
35 C8x C 8.5449 -17.2280
36 C8y C 9.8055 -17.9283
37 C8x C 10.9960 -17.2280
38 S4a S 9.8055 -19.3289
39 O3c O 8.4048 -19.3289
40 O3c O 11.2061 -19.3289
41 C1a C 9.8055 -20.7296
42 Z Na 14.2102 -20.5802 #+
BOND 45
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 7 8 2
9 8 9 1
10 2 9 1
11 4 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 11 16 1
19 13 17 2
20 17 18 1
21 18 19 2
22 19 20 1
23 14 20 2
24 19 21 1
25 21 22 1
26 22 23 1
27 10 24 2
28 20 25 1
29 18 26 1
30 21 27 2
31 23 28 1
32 23 29 1 #Down
33 29 30 1
34 29 31 2
35 28 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 35 36 1
40 36 37 2
41 32 37 1
42 36 38 1
43 38 39 2
44 38 40 2
45 38 41 1
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