| Entry |
|
|---|
| Name |
Linerixibat (JAN/USAN) |
|---|
| Formula |
C28H38N2O7S
|
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| Exact mass |
546.2400
|
|---|
| Mol weight |
546.68
|
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| Structure |
|
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| Efficacy |
Lipid-lowering agent, Bile acid transporter (ASBT/IBAT) inhibitor |
|---|
| Comment |
Treatment of liver disease associated with cholestasis
|
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| Target |
|
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| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC10
SLC10A2 (ASBT, IBAT)
D11539 Linerixibat (JAN/USAN)
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 38
1 C8y C 20.1600 -15.5400
2 S2x S 19.0400 -14.6300
3 C1x C 17.7100 -14.9800
4 C1z C 17.0800 -16.2400
5 C8y C 20.1600 -16.9400
6 N1x N 17.7100 -17.5000
7 C1y C 19.0400 -17.7800
8 C8x C 21.3724 -17.6400
9 C8y C 22.5849 -16.9400
10 C8y C 22.5849 -15.5400
11 C8x C 21.3724 -14.8400
12 O3c O 18.6777 -13.2777
13 O3c O 20.2524 -13.9300
14 C8y C 19.3428 -19.1469
15 C8x C 18.2814 -20.1188
16 C8x C 18.5839 -21.4857
17 C8x C 19.9190 -21.9071
18 C8x C 20.9804 -20.9352
19 C8x C 20.6779 -19.5683
20 C1b C 16.0901 -17.2299
21 C1b C 15.8676 -15.5400
22 C1b C 14.6721 -16.2304
23 C1b C 13.4847 -15.5449
24 C1a C 12.2935 -16.2329
25 C1a C 16.0901 -18.6299
26 O2a O 23.8160 -17.6510
27 C1a C 25.0212 -16.9553
28 C1b C 23.8160 -14.8290
29 N1b N 25.0212 -15.5247
30 C1c C 26.2035 -14.8419
31 C1b C 27.3975 -15.5312
32 C1b C 26.2035 -13.4402
33 C6a C 24.9735 -12.7299
34 O6a O 23.7691 -13.4252
35 O6a O 24.9736 -11.3401
36 C6a C 28.5854 -14.8452
37 O6a O 29.7765 -15.5329
38 O6a O 28.5855 -13.4402
BOND 40
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 5 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 1 11 2
13 2 12 2
14 2 13 2
15 7 14 1 #Up
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 4 20 1
23 4 21 1 #Down
24 21 22 1
25 22 23 1
26 23 24 1
27 20 25 1
28 9 26 1
29 26 27 1
30 10 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 30 32 1
35 32 33 1
36 33 34 1
37 33 35 2
38 31 36 1
39 36 37 1
40 36 38 2
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