KEGG   DRUG: Evatanepag
Entry
D09613                      Drug                                   

Name
Evatanepag (USAN/INN)
Formula
C25H28N2O5S
Exact mass
468.1719
Mol weight
468.5652
Structure
Simcomp
Remark
Chemical structure group: DG01894
Efficacy
Prostaglandin E2 receptor agonist
Comment
Non-prostanoid prostaglandin receptor agonist
Treatment of fracture
Target
PTGER2 [HSA:5732] [KO:K04259]
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER2
     D09613  Evatanepag (USAN/INN)
Other DBs
CAS: 223488-57-1
PubChem: 124490353
ChEMBL: CHEMBL563646
PDB-CCD: GM9[PDBj]
LigandBox: D09613
LinkDB
KCF data

ATOM        33
            1   C8y C    13.2300  -26.3200
            2   C8x C    13.2300  -27.7200
            3   C8x C    14.4424  -28.4200
            4   C8y C    15.6549  -27.7200
            5   C8x C    15.6549  -26.3200
            6   C8x C    14.4424  -25.6200
            7   C1b C    16.8860  -28.4310
            8   N1c N    18.0912  -27.7353
            9   C1b C    19.2735  -28.4181
            10  C8y C    20.4675  -27.7288
            11  C8x C    21.6554  -28.4148
            12  C8x C    22.8679  -27.7149
            13  C8x C    22.8681  -26.3149
            14  C8y C    21.6801  -25.6289
            15  C8x C    20.4676  -26.3288
            16  C1d C    12.0176  -25.6200
            17  C1a C    10.8221  -26.3104
            18  C1a C    12.0175  -24.2202
            19  C1a C    10.8051  -24.9200
            20  S4a S    18.0917  -26.3204
            21  C8y C    18.0917  -24.9204
            22  O3c O    19.4917  -26.3204
            23  O3c O    16.6917  -26.3204
            24  C8x C    19.2803  -24.2338
            25  C8x C    19.2800  -22.8338
            26  C8x C    18.0674  -22.1340
            27  N5x N    16.8788  -22.8206
            28  C8x C    16.8791  -24.2206
            29  O2a O    21.6801  -24.2201
            30  C1b C    22.9074  -23.5114
            31  C6a C    24.1104  -24.2060
            32  O6a O    25.2940  -23.5227
            33  O6a O    24.1107  -25.6197
BOND        35
            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    1  16 1
            18   16  17 1
            19   16  18 1
            20   16  19 1
            21    8  20 1
            22   20  21 1
            23   20  22 2
            24   20  23 2
            25   21  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   21  28 1
            31   14  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   31  33 2

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