KEGG   DRUG: D01652Help
Entry
D01652                      Drug                                   

Name
Apafant (JAN/USAN/INN)
Formula
C22H22ClN5O2S
Exact mass
455.1183
Mol weight
455.9604
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Platelet activating factor antagonist
Target
platelet-activating factor (PAF) receptor antagonist [HSA:5724] [KO:K04279]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Platelet activating factor
    platelet-activating factor (PAF) receptor [HSA:5724] [KO:K04279]
     Apafant
      D01652  Apafant (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
105219-56-5
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   C2y C    22.1401  -17.0412
            2   C8y C    21.2968  -15.9301
            3   C8y C    21.6325  -14.5714
            4   N4y N    22.8952  -13.9925
            5   N2x N    23.5478  -16.9964
            6   C8y C    24.1505  -14.6157
            7   C1x C    24.4374  -15.9862
            8   C8y C    21.5047  -18.2926
            9   C8x C    20.1012  -18.2926
            10  C8x C    19.4002  -19.5068
            11  C8x C    20.1012  -20.7208
            12  C8x C    21.5047  -20.7208
            13  C8y C    22.2057  -19.5068
            14  X   Cl   23.6185  -19.5069
            15  N5x N    25.1312  -13.6144
            16  N5x N    24.4819  -12.3724
            17  C8y C    23.1000  -12.6061
            18  S2x S    20.4440  -13.8323
            19  C8y C    19.3739  -14.7342
            20  C8x C    19.9009  -15.9606
            21  C1a C    22.1177  -11.6438
            22  C1b C    18.1597  -14.0333
            23  C1b C    16.9456  -14.7342
            24  C5a C    15.7354  -14.0354
            25  N1y N    14.5533  -14.7178
            26  O5a O    15.7351  -12.6161
            27  C1x C    14.5533  -16.1197
            28  C1x C    13.3393  -14.0168
            29  C1x C    12.1251  -14.7178
            30  O2x O    12.1251  -16.1197
            31  C1x C    13.3393  -16.8207
BOND        35
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 2
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     1   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15   13  14 1
            16    6  15 2
            17   15  16 1
            18   16  17 2
            19    4  17 1
            20    3  18 1
            21   18  19 1
            22   19  20 2
            23    2  20 1
            24   17  21 1
            25   19  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   24  26 2
            30   25  27 1
            31   25  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   27  31 1

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