| Entry |
|
|---|
| Name |
Odanacatib (JAN/USAN) |
|---|
| Formula |
C25H27F4N3O3S
|
|---|
| Exact mass |
525.1709
|
|---|
| Mol weight |
525.56
|
|---|
| Structure |
|
|---|
| Efficacy |
Osteoporosis agent, Cathepsin K inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04620 | Toll-like receptor signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Cysteine peptidases
Papain family
CTSK
D08955 Odanacatib (JAN/USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C8x C 15.6800 -14.1400
2 C8y C 15.6800 -15.5400
3 C8x C 16.8924 -16.2400
4 C8x C 18.1049 -15.5400
5 C8y C 18.1049 -14.1400
6 C8x C 16.8924 -13.4400
7 C8y C 14.4676 -16.2400
8 C8x C 13.2721 -15.5496
9 C8x C 12.0596 -16.2495
10 C8y C 12.0594 -17.6495
11 C8x C 13.2549 -18.3399
12 C8x C 14.4674 -17.6400
13 S4a S 10.8366 -18.3554
14 C1a C 9.6242 -19.0554
15 O3c O 10.1333 -17.1374
16 O3c O 11.5333 -19.5619
17 C1c C 19.3424 -13.4400
18 N1b N 20.5549 -14.1400
19 C1c C 21.7673 -13.4400
20 C5a C 22.9797 -14.1400
21 N1b N 24.1922 -13.4400
22 C1x C 24.7271 -15.4089
23 C1x C 26.1321 -15.4089
24 C1z C 25.4260 -14.2008
25 C3b C 26.5559 -13.4909
26 N3a N 27.7684 -12.7909
27 C1d C 19.3485 -12.0403
28 C1b C 21.7673 -12.0400
29 O5a O 22.9797 -15.5399
30 C1d C 22.9818 -11.3388
31 C1a C 24.1942 -10.6388
32 C1a C 22.2770 -10.1179
33 X F 23.6766 -12.5427
34 X F 19.3485 -10.6403
35 X F 20.7200 -12.0433
36 X F 17.9200 -12.0372
BOND 38
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 2 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 10 13 1
15 13 14 1
16 13 15 2
17 13 16 2
18 5 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 22 23 1
24 23 24 1
25 24 22 1
26 21 24 1
27 24 25 1
28 25 26 3
29 17 27 1 #Up
30 19 28 1 #Up
31 20 29 2
32 28 30 1
33 30 31 1
34 30 32 1
35 30 33 1
36 27 34 1
37 27 35 1
38 27 36 1
|
|---|
