KEGG   DRUG: OdanacatibHelp
Entry
D08955                      Drug                                   

Name
Odanacatib (JAN/USAN)
Formula
C25H27F4N3O3S
Exact mass
525.1709
Mol weight
525.5588
Structure
Mol fileKCF fileDB search
Efficacy
Osteoporosis agent, Cathepsin K inhibitor
Target
CTSK [HSA:1513] [KO:K01371]
  Pathway
hsa04142  Lysosome
hsa04380  Osteoclast differentiation
hsa04620  Toll-like receptor signaling pathway
hsa05323  Rheumatoid arthritis
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Cysteine peptidases
    CTSK
     D08955  Odanacatib (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 603139-19-1
PubChem: 96025638
ChEMBL: CHEMBL481611
LigandBox: D08955
LinkDB All DBs
KCF data Show

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

» Japanese version   » Back

DBGET integrated database retrieval system