KEGG   DRUG: DezocineHelp
Entry
D00838                      Drug                                   

Name
Dezocine (USAN);
Dalgan (TN)
Formula
C16H23NO
Exact mass
245.178
Mol weight
245.3599
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Analgesic
 DG01984  Opioid analgesics
 DG01587  Opioid receptor agonist/antagonist
Remark
Same as: C08010
ATC code: N02AX03
Efficacy
Analgesic, Opioid receptor agonist/antagonist
Target
OPRM1 [HSA:4988] [KO:K04215]
OPRK1 [HSA:4986] [KO:K04214]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AX Other opioids
     N02AX03 Dezocine
      D00838  Dezocine (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D00838  Dezocine (USAN)
    OPRK1
     D00838  Dezocine (USAN)
BRITE hierarchy
Other DBs
CAS: 53648-55-8
PubChem: 7847903
ChEBI: 4474
ChEMBL: CHEMBL1685 CHEMBL3305515
DrugBank: DB01209
LigandBox: D00838
NIKKAJI: J10.888J
LinkDB All DBs
KCF data Show

ATOM        18
            1   O1a O    15.6104  -12.7039
            2   C8y C    16.8283  -13.4071
            3   C8x C    18.0461  -12.7039
            4   C8x C    16.8283  -14.8132
            5   C8y C    18.0461  -15.5163
            6   C8y C    19.2638  -14.8132
            7   C8x C    19.2638  -13.4071
            8   C1z C    18.0461  -16.9224
            9   C1y C    19.2638  -17.6255
            10  C1y C    20.4815  -16.9224
            11  C1x C    20.4815  -15.5163
            12  C1x C    20.4815  -19.7347
            13  C1x C    21.6993  -19.0317
            14  C1x C    21.6993  -17.6255
            15  C1x C    18.0461  -18.3286
            16  C1x C    19.0403  -19.3228
            17  C1a C    16.8283  -16.2194
            18  N1a N    19.5575  -18.7728
BOND        20
            1     1   2 1
            2     2   3 2
            3     2   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     3   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    6  11 1
            13   12  13 1
            14   13  14 1
            15   10  14 1
            16    8  15 1
            17   15  16 1
            18   12  16 1
            19    8  17 1 #Up
            20    9  18 1 #Down

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