KEGG   DRUG: Ethoheptazine citrateHelp
Entry
D01435                      Drug                                   

Name
Ethoheptazine citrate (JAN)
Formula
C16H23NO2. C6H8O7
Exact mass
453.1999
Mol weight
453.4828
Structure
Mol fileKCF fileDB search
Efficacy
Analgesic, Opioid receptor agonist
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D01435  Ethoheptazine citrate (JAN)
BRITE hierarchy
Other DBs
CAS: 6700-56-7
PubChem: 7848498
ChEBI: 31567
ChEMBL: CHEMBL1201887
LigandBox: D01435
NIKKAJI: J244.638C
KCF data Show

ATOM        32
            1   C8y C    22.8708  -17.6701
            2   C8x C    24.2714  -17.6701
            3   C8x C    24.9717  -16.4571
            4   C8x C    24.2714  -15.2442
            5   C8x C    22.8708  -15.2442
            6   C8x C    22.1705  -16.4571
            7   C1z C    22.1705  -18.8831
            8   C1x C    19.3450  -17.4844
            9   C1x C    20.6091  -16.8963
            10  C1x C    21.8678  -17.5178
            11  N1y N    19.0177  -18.8495
            12  C1x C    19.8816  -19.9549
            13  C1x C    21.2839  -19.9649
            14  C1a C    17.6490  -19.1470
            15  C7a C    23.3800  -19.5738
            16  O7a O    24.5896  -18.8735
            17  C1b C    25.7992  -19.5666
            18  C1a C    27.0088  -18.8663
            19  O6a O    23.3840  -20.9744
            20  C1d C    34.0335  -17.9056
            21  C1b C    32.8217  -18.6022
            22  C1b C    35.2453  -18.5962
            23  C6a C    34.7243  -16.6878
            24  O1a O    33.3250  -16.6878
            25  C6a C    31.6156  -17.9114
            26  C6a C    35.3036  -19.9955
            27  O6a O    34.0158  -15.4702
            28  O6a O    36.1293  -16.6878
            29  O6a O    30.4039  -18.6139
            30  O6a O    31.6739  -16.5123
            31  O6a O    36.4454  -20.6980
            32  O6a O    34.0158  -20.6921
BOND        32
            1     7  15 1
            2     1   7 1
            3    15  16 1
            4    16  17 1
            5     1   2 2
            6    17  18 1
            7     8   9 1
            8    15  19 2
            9     2   3 1
            10    9  10 1
            11    3   4 2
            12    8  11 1
            13   10   7 1
            14    4   5 1
            15   11  12 1
            16    5   6 2
            17    7  13 1
            18   12  13 1
            19    6   1 1
            20   11  14 1
            21   20  21 1
            22   20  22 1
            23   20  23 1
            24   20  24 1
            25   21  25 1
            26   22  26 1
            27   23  27 1
            28   23  28 2
            29   25  29 1
            30   25  30 2
            31   26  31 1
            32   26  32 2

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