KEGG   DRUG: EpelsibanHelp
Entry
D10117                      Drug                                   

Name
Epelsiban (USAN)
Formula
C30H38N4O4
Exact mass
518.2893
Mol weight
518.6471
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Chemical group: 
Activity
Oxytocin antagonist for the treatment of premature ejaculation
Target
oxytocin receptor [HSA:5021] [KO:K04229]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Oxytocin
    oxytocin receptor
     Epelsiban
      D10117  Epelsiban (USAN)
BRITE hierarchy
Other DBs
CAS: 
872599-83-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        38
            1   N1y N    23.3100  -21.2100
            2   C1x C    23.3100  -22.6100
            3   C1x C    24.5224  -23.3100
            4   O2x O    25.7349  -22.6100
            5   C1x C    25.7349  -21.2100
            6   C1x C    24.5224  -20.5100
            7   C5a C    22.0976  -20.5100
            8   C1c C    20.9021  -21.2004
            9   O5a O    22.0975  -19.1102
            10  N1y N    19.7147  -20.5149
            11  C8y C    20.9020  -22.8897
            12  C5x C    18.5235  -21.2029
            13  C1y C    17.3340  -20.5162
            14  O5x O    18.5235  -22.6097
            15  C1y C    19.7145  -19.1102
            16  C1y C    16.1439  -21.2035
            17  N1x N    17.3338  -19.1102
            18  C5x C    18.5658  -18.3986
            19  O5x O    18.5170  -17.0105
            20  C1c C    20.4145  -17.8978
            21  C1b C    21.8398  -17.8974
            22  C1a C    22.5298  -16.7017
            23  C1a C    20.4145  -16.4978
            24  C8y C    19.7106  -23.5778
            25  N5x N    19.7107  -24.9778
            26  C8y C    20.9232  -25.6776
            27  C8x C    22.1147  -24.9896
            28  C8x C    22.1145  -23.5896
            29  C1a C    18.3106  -23.5778
            30  C1a C    20.9233  -27.0900
            31  C1x C    14.8891  -20.6450
            32  C8y C    13.9701  -21.6658
            33  C8y C    14.6569  -22.8552
            34  C1x C    16.0004  -22.5695
            35  C8x C    12.5701  -21.6659
            36  C8x C    11.8702  -22.8783
            37  C8x C    12.5570  -24.0678
            38  C8x C    13.9570  -24.0677
BOND        42
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     7   9 2
            10    8  10 1
            11    8  11 1 #Up
            12   10  12 1
            13   12  13 1
            14   12  14 2
            15   10  15 1
            16   13  16 1 #Up
            17   13  17 1
            18   17  18 1
            19   15  18 1
            20   18  19 2
            21   15  20 1
            22   20  21 1
            23   21  22 1
            24   20  23 1 #Up
            25   11  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   11  28 1
            31   24  29 1
            32   26  30 1
            33   16  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   16  34 1
            38   32  35 2
            39   35  36 1
            40   36  37 2
            41   37  38 1
            42   33  38 2

» Japanese version   » Back

DBGET integrated database retrieval system