Entry |
|
Name |
Lanabecestat camsylate (USAN) |
Formula |
C26H28N4O. C10H16O4S
|
Exact mass |
644.3032
|
Mol weight |
644.8234
|
Structure |
|
Remark |
|
Efficacy |
Dementia therapeutic agent, beta-Secretase inhibitor |
Comment |
Treatment of Alzheimer's disease
|
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Aspartic peptidases
BACE1
D10947 Lanabecestat camsylate (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 46
1 C8y C 19.9303 -17.0625
2 C8y C 19.9303 -18.4610
3 C1x C 21.2603 -18.8931
4 C1z C 22.0823 -17.7617
5 C1z C 21.2603 -16.6304
6 C8x C 18.7192 -16.3633
7 C8y C 17.5080 -17.0625
8 C8x C 17.5080 -18.4610
9 C8x C 18.7192 -19.1602
10 C8y C 16.2783 -16.3523
11 C8x C 16.2786 -14.9649
12 N5x N 15.0676 -14.2654
13 C8x C 13.8563 -14.9643
14 C8y C 13.8560 -16.3517
15 C8x C 15.0670 -17.0512
16 C1x C 22.7816 -18.9728
17 C1x C 24.1801 -18.9728
18 C1y C 24.8793 -17.7617
19 C1x C 24.1801 -16.5507
20 C1x C 22.7816 -16.5507
21 O2a O 26.2933 -17.7617
22 C1a C 26.9926 -18.9728
23 N2x N 22.4714 -15.9311
24 C2y C 22.1806 -14.5632
25 C2y C 20.7899 -14.4170
26 N2x N 20.2211 -15.6946
27 N1a N 20.0806 -13.1882
28 C1a C 23.1195 -13.5206
29 C3b C 12.6330 -17.0574
30 C3b C 11.4218 -17.7567
31 C1a C 10.2107 -18.4559
32 C1z C 33.4141 -16.7525
33 C1z C 32.8183 -14.6441
34 C5x C 34.5529 -17.3191
35 C1x C 32.1933 -17.3599
36 C1b C 32.7775 -18.0491
37 C1y C 33.7587 -15.6136
38 C1a C 33.3265 -13.2773
39 C1a C 31.7612 -13.8497
40 C1x C 35.0203 -16.3379
41 O5x O 35.0027 -18.6565
42 C1x C 32.7658 -16.3202
43 S4a S 31.3991 -18.0550
44 O1d O 30.7741 -19.2932
45 O1d O 30.6455 -16.9043
46 O1d O 32.4329 -19.1880
BOND 51
1 1 2 2
2 2 3 1
3 4 3 1 #Down
4 4 5 1
5 1 5 1
6 1 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 2 9 1
11 7 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 10 15 1
18 4 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 4 20 1
24 18 21 1 #Down
25 21 22 1
26 5 23 1 #Up
27 23 24 2
28 24 25 1
29 25 26 2
30 5 26 1 #Down
31 25 27 1
32 24 28 1
33 14 29 1
34 29 30 3
35 30 31 1
36 32 33 1
37 32 34 1
38 32 35 1
39 32 36 1
40 33 37 1
41 33 38 1
42 33 39 1
43 34 40 1
44 34 41 2
45 35 42 1
46 36 43 1
47 43 44 2
48 43 45 2
49 43 46 1
50 37 40 1
51 37 42 1
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