| Entry |
|
|---|
| Name |
Ertiprotafib (USAN/INN) |
|---|
| Formula |
C31H27BrO3S
|
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| Exact mass |
558.0864
|
|---|
| Mol weight |
559.51
|
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| Structure |
|
|---|
| Efficacy |
Antidiabetic, Protein tyrosine phosphatase 1B inhibitor |
|---|
| Comment |
Treatment of non-insulin dependent diabetes (protein tyrosine phosphatase 1B inhibitor)
|
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| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
IKBKB
D04050 Ertiprotafib (USAN/INN)
Enzymes
Hydrolases (EC3)
Phosphatases
PTPN1
D04050 Ertiprotafib (USAN/INN)
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 36
1 C8x C 10.0800 -17.4300
2 C8x C 10.0800 -18.8300
3 C8x C 11.2924 -19.5300
4 C8y C 12.5049 -18.8300
5 C8y C 12.5049 -17.4300
6 C8x C 11.2924 -16.7300
7 C8y C 13.7173 -19.5300
8 C8y C 14.9297 -18.8300
9 C8y C 14.9297 -17.4300
10 C8y C 13.7173 -16.7300
11 S2x S 16.2612 -19.2626
12 C8y C 17.0841 -18.1300
13 C8y C 16.2612 -16.9974
14 C1a C 18.4800 -18.1300
15 C1a C 16.6879 -15.6836
16 X Br 13.7173 -20.9300
17 C8y C 13.7173 -15.3300
18 C8x C 14.9318 -14.6288
19 C8y C 14.9318 -13.2288
20 C8y C 13.7193 -12.5288
21 C8y C 12.5049 -13.2300
22 C8x C 12.5049 -14.6300
23 O2a O 13.7193 -11.1300
24 C1a C 11.3114 -12.5408
25 C1a C 16.1273 -12.5384
26 C1c C 14.9323 -10.4297
27 C1b C 16.1280 -11.1202
28 C8y C 17.3152 -10.4349
29 C6a C 14.9323 -9.0302
30 O6a O 16.1280 -8.3398
31 O6a O 13.7032 -8.3204
32 C8x C 18.5065 -11.1229
33 C8x C 19.7191 -10.4230
34 C8x C 19.7192 -9.0230
35 C8x C 18.5279 -8.3350
36 C8x C 17.3154 -9.0349
BOND 40
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 8 11 1
13 11 12 1
14 12 13 2
15 9 13 1
16 12 14 1
17 13 15 1
18 7 16 1
19 10 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 20 21 1
24 21 22 2
25 17 22 1
26 20 23 1
27 21 24 1
28 19 25 1
29 23 26 1
30 26 27 1
31 27 28 1
32 26 29 1 #Up
33 29 30 2
34 29 31 1
35 28 32 2
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 2
40 28 36 1
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