KEGG   DRUG: UlimorelinHelp
Entry
D09981                      Drug                                   

Name
Ulimorelin (USAN/INN)
Formula
C30H39FN4O4
Exact mass
538.2955
Mol weight
538.6535
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01338
Efficacy
Laxative, Growth hormone secretagogue receptor (GHSR) agonist
Comment
Treatment of gastrointestinal motility disorders
Target
GHSR [HSA:2693] [KO:K04284]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Ghrelin
    GHSR
     D09981  Ulimorelin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 842131-33-3
PubChem: 135626702
ChEMBL: CHEMBL1963249
LigandBox: D09981
LinkDB All DBs
KCF data Show

ATOM        39
            1   C1y C    15.5400  -18.6200
            2   O2x O    15.5400  -20.0200
            3   N1x N    17.9649  -18.6200
            4   C1x C    16.7524  -17.9200
            5   N1y N    20.3897  -20.0200
            6   C5x C    20.3897  -18.6200
            7   C1y C    19.1773  -17.9200
            8   N1x N    20.3897  -22.8200
            9   C5x C    21.6022  -22.1200
            10  C1y C    21.6022  -20.7200
            11  C8y C    14.3276  -20.7200
            12  C8y C    14.3276  -22.1200
            13  C1x C    15.5400  -22.8200
            14  C1x C    15.5400  -24.2200
            15  C1x C    16.7524  -24.9200
            16  N1x N    17.9649  -24.2200
            17  C5x C    19.1773  -24.9200
            18  C1y C    20.3897  -24.2200
            19  C1y C    19.1773  -16.5200
            20  C1x C    19.8773  -15.3076
            21  C1x C    18.4773  -15.3076
            22  O5x O    21.5873  -17.9285
            23  C1a C    19.1626  -20.7286
            24  C1a C    14.3276  -17.9200
            25  C1a C    22.8353  -20.0078
            26  O5x O    22.8353  -22.8322
            27  C1b C    21.5873  -24.9115
            28  C8y C    21.5873  -26.3115
            29  O5x O    19.1773  -26.3200
            30  C8x C    13.1152  -20.0200
            31  C8x C    11.9027  -20.7200
            32  C8x C    11.9027  -22.1200
            33  C8x C    13.1152  -22.8200
            34  C8x C    20.3508  -27.0255
            35  C8x C    20.3509  -28.4255
            36  C8y C    21.5634  -29.1254
            37  C8x C    22.7999  -28.4114
            38  C8x C    22.7998  -27.0114
            39  X   F    21.5635  -30.5200
BOND        42
            1     1   2 1
            2     3   4 1
            3     1   4 1
            4     5   6 1
            5     6   7 1
            6     3   7 1
            7     8   9 1
            8     9  10 1
            9     5  10 1
            10    2  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18   8 1
            19    7  19 1 #Up
            20   19  20 1
            21   20  21 1
            22   21  19 1
            23    6  22 2
            24    5  23 1
            25    1  24 1 #Down
            26   10  25 1 #Down
            27    9  26 2
            28   18  27 1 #Down
            29   27  28 1
            30   17  29 2
            31   11  30 1
            32   30  31 2
            33   31  32 1
            34   32  33 2
            35   12  33 1
            36   28  34 2
            37   34  35 1
            38   35  36 2
            39   36  37 1
            40   37  38 2
            41   28  38 1
            42   36  39 1

» Japanese version   » Back

DBGET integrated database retrieval system