KEGG   DRUG: Taprenepag
Entry
D09968                      Drug                                   

Name
Taprenepag (USAN/INN)
Formula
C24H22N4O5S
Exact mass
478.1311
Mol weight
478.5203
Structure
Simcomp
Remark
Chemical structure group: DG01895
Efficacy
Antiglaucoma, Intraocular pressure lowering agent, Prostaglandin E2 receptor agonist
Comment
Non-prostanoid prostaglandin receptor agonist
Target
PTGER2 [HSA:5732] [KO:K04259]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Structure map
map07054  Antiglaucoma agents
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER2
     D09968  Taprenepag (USAN/INN)
Other DBs
CAS: 752187-80-7
PubChem: 135626689
ChEMBL: CHEMBL2107783
PDB-CCD: GNO[PDBj]
LigandBox: D09968
LinkDB
KCF data

ATOM        34
            1   C8y C    15.6100  -34.0900
            2   C8x C    15.6100  -35.4900
            3   C8x C    16.8000  -36.1900
            4   C8y C    17.9900  -35.4900
            5   C8x C    17.9900  -34.0900
            6   C8x C    16.8000  -33.3900
            7   C1b C    19.2500  -36.2600
            8   N1c N    20.4400  -35.5600
            9   C1b C    21.6300  -36.1900
            10  C8y C    22.8200  -35.4900
            11  C8x C    24.0100  -36.1900
            12  C8x C    25.2700  -35.4900
            13  C8x C    25.2700  -34.0900
            14  C8y C    24.0800  -33.3900
            15  C8x C    22.8200  -34.0900
            16  S4a S    20.4400  -34.0900
            17  C8y C    20.4400  -32.6900
            18  O3c O    21.8400  -34.0900
            19  O3c O    19.0400  -34.0900
            20  C8x C    21.6300  -31.9900
            21  C8x C    21.6300  -30.5900
            22  C8x C    20.4400  -29.8900
            23  N5x N    19.2500  -30.5900
            24  C8x C    19.2500  -31.9900
            25  O2a O    24.0800  -31.9900
            26  C1b C    25.2700  -31.2900
            27  C6a C    26.5300  -31.9900
            28  O6a O    27.7200  -31.2900
            29  O6a O    26.5300  -33.3900
            30  N4y N    14.3947  -33.3949
            31  N5x N    14.4495  -31.9903
            32  C8x C    13.1343  -31.5049
            33  C8x C    12.2662  -32.6057
            34  C8x C    13.0449  -33.7715
BOND        37
            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     4   7 1
            8     7   8 1
            9     8   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   10  15 2
            17    8  16 1
            18   16  17 1
            19   16  18 2
            20   16  19 2
            21   17  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   17  24 1
            27   14  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 2
            32    1  30 1
            33   30  31 1
            34   31  32 2
            35   32  33 1
            36   33  34 2
            37   30  34 1

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