| Entry |
|
|---|
| Name |
Fasiglifam hydrate (JAN);
Fasiglifam hemihydrate |
|---|
| Formula |
(C29H32O7S)2. H2O
|
|---|
| Exact mass |
1066.3843
|
|---|
| Mol weight |
1067.27
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antidiabetic, Hypoglycemic, Free fatty acid receptor 1 (GPR40) agonist |
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Free fatty acid
FFAR1
D10567 Fasiglifam hydrate (JAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 75
1 S4a S 10.1500 -15.4000
2 C1b C 11.4100 -16.1000
3 C1a C 8.9600 -16.1000
4 C1b C 12.6000 -15.4700
5 C1b C 13.7900 -16.1000
6 O2a O 14.9800 -15.4700
7 C8y C 16.1700 -16.1000
8 C8x C 16.1700 -17.5700
9 C8y C 17.3600 -18.2700
10 C8y C 18.6200 -17.5700
11 C8y C 18.6200 -16.1000
12 C8x C 17.3600 -15.4000
13 C8y C 19.8100 -18.2700
14 C1a C 19.8100 -15.4000
15 C1a C 17.3600 -19.6700
16 C8x C 19.8100 -19.6700
17 C8x C 21.0700 -20.3700
18 C8x C 22.2600 -19.6700
19 C8y C 22.2600 -18.2700
20 C8x C 21.0700 -17.5700
21 C1b C 23.5200 -17.5700
22 O2a O 24.7100 -18.2000
23 C8y C 25.9000 -17.5700
24 C8x C 27.0900 -18.2700
25 C8x C 28.2800 -17.5000
26 C8y C 28.2800 -16.1000
27 C8y C 27.0900 -15.4000
28 C8x C 25.9000 -16.1700
29 C1y C 29.3300 -15.1900
30 C1x C 28.7700 -13.9300
31 O2x O 27.3700 -14.0700
32 C1b C 30.6600 -15.4700
33 C6a C 31.6400 -14.4200
34 O6a O 33.0400 -14.7000
35 O6a O 31.2200 -13.0900
36 O3c O 9.4500 -14.2100
37 O3c O 10.8500 -14.2100
38 O0 O 38.2200 -16.5900
39 S4a S 10.1500 -15.4000
40 C1b C 11.4100 -16.1000
41 C1b C 12.6000 -15.4700
42 C1b C 13.7900 -16.1000
43 O2a O 14.9800 -15.4700
44 C8y C 16.1700 -16.1000
45 C8x C 16.1700 -17.5700
46 C8y C 17.3600 -18.2700
47 C8y C 18.6200 -17.5700
48 C8y C 18.6200 -16.1000
49 C8x C 17.3600 -15.4000
50 C1a C 19.8100 -15.4000
51 C8y C 19.8100 -18.2700
52 C8x C 19.8100 -19.6700
53 C8x C 21.0700 -20.3700
54 C8x C 22.2600 -19.6700
55 C8y C 22.2600 -18.2700
56 C8x C 21.0700 -17.5700
57 C1b C 23.5200 -17.5700
58 O2a O 24.7100 -18.2000
59 C8y C 25.9000 -17.5700
60 C8x C 27.0900 -18.2700
61 C8x C 28.2800 -17.5000
62 C8y C 28.2800 -16.1000
63 C8y C 27.0900 -15.4000
64 C8x C 25.9000 -16.1700
65 O2x O 27.3700 -14.0700
66 C1x C 28.7700 -13.9300
67 C1y C 29.3300 -15.1900
68 C1b C 30.6600 -15.4700
69 C6a C 31.6400 -14.4200
70 O6a O 33.0400 -14.7000
71 O6a O 31.2200 -13.0900
72 C1a C 17.3600 -19.6700
73 C1a C 8.9600 -16.1000
74 O3c O 9.4500 -14.2100
75 O3c O 10.8500 -14.2100
BOND 80
1 1 2 1
2 1 3 1
3 2 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 10 13 1
14 11 14 1
15 9 15 1
16 13 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 13 20 1
22 19 21 1
23 21 22 1
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 23 28 1
31 26 29 1
32 29 30 1
33 30 31 1
34 27 31 1
35 29 32 1 #Up
36 32 33 1
37 33 34 1
38 33 35 2
39 1 36 2
40 1 37 2
41 39 40 1
42 39 73 1
43 40 41 1
44 41 42 1
45 42 43 1
46 43 44 1
47 44 45 2
48 45 46 1
49 46 47 2
50 47 48 1
51 48 49 2
52 44 49 1
53 47 51 1
54 48 50 1
55 46 72 1
56 51 52 2
57 52 53 1
58 53 54 2
59 54 55 1
60 55 56 2
61 51 56 1
62 55 57 1
63 57 58 1
64 58 59 1
65 59 60 2
66 60 61 1
67 61 62 2
68 62 63 1
69 63 64 2
70 59 64 1
71 62 67 1
72 67 66 1
73 66 65 1
74 63 65 1
75 67 68 1 #Up
76 68 69 1
77 69 70 1
78 69 71 2
79 39 74 2
80 39 75 2
BRACKET 1 6.9300 -21.1400 6.9300 -11.3400
1 34.4400 -11.3400 34.4400 -21.1400
1 2
ORIGINAL 1 1 2 4 5 6 7 8 9 10 11 12 14 13 16 17 18
1 19 20 21 22 23 24 25 26 27 28 31 30 29 32 33 34
1 35 15 3 36 37
REPEAT 1 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54
1 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70
1 71 72 73 74 75
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