KEGG   DRUG: EtorphineHelp
Entry
D07937                      Drug                                   

Name
Etorphine (INN)
Formula
C25H33NO4
Exact mass
411.241
Mol weight
411.5338
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01561  delta-Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Remark
Same as: C11793
Efficacy
Analgesic, Anesthetic, Opioid receptor agonist
Target
OPRM1 [HSA:4988] [KO:K04215]
OPRK1 [HSA:4986] [KO:K04214]
OPRD1 [HSA:4985] [KO:K04213]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07937  Etorphine (INN)
    OPRK1
     D07937  Etorphine (INN)
    OPRD1
     D07937  Etorphine (INN)
BRITE hierarchy
Other DBs
CAS: 14521-96-1
PubChem: 96024632
ChEMBL: CHEMBL1907177 CHEMBL3274687
DrugBank: DB01497
LigandBox: D07937
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1z C    18.0549  -15.8162
            2   C1z C    19.2447  -16.5161
            3   C1y C    16.8652  -16.5161
            4   C8y C    18.0549  -14.4865
            5   C1x C    19.2447  -15.1164
            6   C1y C    20.4344  -15.8862
            7   C1x C    19.2447  -17.9158
            8   C2x C    18.6848  -17.5658
            9   C1z C    16.8652  -17.8458
            10  O2x O    16.1653  -14.9764
            11  C8y C    16.8652  -13.7866
            12  C8y C    19.2447  -13.7866
            13  C1x C    21.6241  -15.1163
            14  N1y N    21.6241  -16.5161
            15  C1x C    20.4344  -14.4865
            16  C1y C    18.0549  -18.5456
            17  C2x C    17.4950  -16.8660
            18  O2a O    15.4655  -17.8458
            19  C8y C    16.8651  -12.3869
            20  C8x C    19.2447  -12.3869
            21  C1a C    22.8139  -15.8862
            22  C1d C    18.0549  -19.9453
            23  C1a C    14.3457  -18.8256
            24  C8x C    18.1249  -11.6871
            25  O1a O    15.6754  -11.6871
            26  C1b C    19.1747  -20.6452
            27  C1a C    16.7952  -20.5752
            28  O1a O    16.7952  -19.2455
            29  C1b C    20.3644  -19.9453
            30  C1a C    21.5542  -20.6452
BOND        35
            1     1   3 1
            2     1   4 1
            3     1   5 1 #Up
            4     2   6 1
            5     2   7 1
            6     2   8 1 #Down
            7     3   9 1
            8     3  10 1 #Down
            9     4  11 1
            10    4  12 2
            11    5  13 1
            12    6  14 1 #Up
            13    6  15 1
            14    7  16 1
            15    8  17 2
            16    9  18 1
            17   11  19 2
            18   12  20 1
            19   14  21 1
            20   16  22 1
            21   18  23 1
            22   19  24 1
            23   19  25 1
            24   22  26 1
            25   22  27 1 #Up
            26   22  28 1 #Down
            27   26  29 1
            28    9  16 1
            29    9  17 1 #Down
            30   10  11 1
            31   12  15 1
            32   14  13 1 #Up
            33   20  24 2
            34   29  30 1
            35    1   2 1

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