KEGG   DRUG: D06140Help
Entry
D06140                      Drug                                   

Name
Ticolubant (USAN/INN)
Formula
C23H19Cl2NO3S
Exact mass
459.0463
Mol weight
460.3729
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antipsoriatic
Target
Leukotriene B4 receptor antagonist [HSA:1241 56413] [KO:K04296 K04297]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Leukotriene
    leukotriene B4 receptor
     Ticolubant
      D06140  Ticolubant (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
154413-61-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        30
            1   C8x C     9.1700  -15.4700
            2   C8y C     9.1700  -16.8700
            3   N5x N    10.3824  -17.5700
            4   C8y C    11.5949  -16.8700
            5   C8y C    11.5949  -15.4700
            6   C8x C    10.3824  -14.7700
            7   O2a O    12.8260  -14.7590
            8   C2b C    12.8260  -17.5810
            9   C1b C     7.9576  -17.5700
            10  S2a S     6.7621  -16.8796
            11  C8y C     5.5747  -17.5651
            12  C8y C     4.3835  -16.8771
            13  C8x C     3.1710  -17.5769
            14  C8x C     3.1708  -18.9769
            15  C8x C     4.3620  -19.6649
            16  C8y C     5.5745  -18.9651
            17  X   Cl    4.3835  -15.4702
            18  X   Cl    6.8080  -19.6776
            19  C1b C    14.0312  -15.4547
            20  C1b C    15.2135  -14.7719
            21  C2b C    14.0312  -16.8853
            22  C6a C    15.2135  -17.5681
            23  C8y C    15.2135  -13.3702
            24  C8x C    16.4082  -12.6802
            25  C8x C    16.4080  -11.2802
            26  C8x C    15.1955  -10.5803
            27  C8x C    14.0007  -11.2704
            28  C8x C    14.0009  -12.6704
            29  O6a O    16.4075  -16.8788
            30  O6a O    15.2135  -18.9698
BOND        32
            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     5   7 1
            8     4   8 1
            9     2   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   12  17 1
            19   16  18 1
            20    7  19 1
            21   19  20 1
            22    8  21 2
            23   21  22 1
            24   20  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   22  29 1
            32   22  30 2

» Japanese version   » Back

DBGET integrated database retrieval system