KEGG   DRUG: DiprenorphineHelp
Entry
D07863                      Drug                                   

Name
Diprenorphine (INN)
Formula
C26H35NO4
Exact mass
425.2566
Mol weight
425.5604
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
Remark
Same as: C11794
Chemical structure group: DG01273
Efficacy
Antidote, Narcotic antagonist, Opioid receptor agonist/antagonist
Comment
Morphinan derivative
Target
OPRK1 [HSA:4986] [KO:K04214]
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07863  Diprenorphine (INN)
    OPRK1
     D07863  Diprenorphine (INN)
BRITE hierarchy
Other DBs
CAS: 14357-78-9
PubChem: 96024559
ChEBI: 4650
ChEMBL: CHEMBL281786
DrugBank: DB01548
LigandBox: D07863
NIKKAJI: J87.543K
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1z C    20.6500  -21.7700
            2   C1z C    21.8400  -22.4700
            3   C1y C    19.4600  -22.4700
            4   C8y C    20.6500  -20.4400
            5   C1x C    21.8400  -21.0700
            6   C1y C    23.0300  -21.7700
            7   C1x C    21.8400  -23.8700
            8   C1x C    21.2800  -23.5200
            9   C1z C    19.4600  -23.8000
            10  O2x O    18.8300  -20.9300
            11  C8y C    19.5300  -19.7400
            12  C8y C    21.9100  -19.7400
            13  C1x C    24.2200  -21.0700
            14  N1y N    24.2200  -22.4700
            15  C1x C    23.1000  -20.4400
            16  C1y C    20.6500  -24.5000
            17  C1x C    20.0900  -22.8200
            18  C8y C    19.5300  -18.3400
            19  C8x C    21.9100  -18.3400
            20  C1b C    25.4100  -21.8400
            21  C8x C    20.7200  -17.6400
            22  O1a O    18.3400  -17.6400
            23  C1y C    26.6000  -22.5400
            24  C1x C    27.3000  -23.7300
            25  C1x C    28.0000  -22.5400
            26  C1d C    21.3500  -25.6900
            27  C1a C    22.7500  -25.6900
            28  C1a C    20.6500  -26.8800
            29  O1a O    22.0500  -26.8800
            30  C1a C    17.0800  -23.8000
            31  O2a O    18.2700  -24.5000
BOND        37
            1     1   5 1 #Up
            2     2   6 1
            3     2   7 1
            4     2   8 1 #Down
            5     3   9 1
            6     3  10 1 #Down
            7     4  11 1
            8     4  12 2
            9     5  13 1
            10    6  14 1 #Up
            11    6  15 1
            12    7  16 1
            13    8  17 1
            14   11  18 2
            15   12  19 1
            16   14  20 1
            17   18  21 1
            18   18  22 1
            19    9  16 1
            20    9  17 1 #Down
            21   10  11 1
            22   12  15 1
            23   14  13 1 #Up
            24   19  21 2
            25    1   2 1
            26   20  23 1
            27    1   3 1
            28    1   4 1
            29   23  24 1
            30   23  25 1
            31   25  24 1
            32   16  26 1
            33   26  27 1
            34   26  28 1
            35   26  29 1
            36   30  31 1
            37   31   9 1

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