KEGG   DRUG: Elzasonan citrateHelp
Entry
D03982                      Drug                                   

Name
Elzasonan citrate (USAN)
Formula
C22H23Cl2N3OS. C6H8O7
Exact mass
639.1209
Mol weight
640.532
Structure
Mol fileKCF fileDB search
Class
Analgesic
 DG01518  5-HT1B/1D-receptor agonist
Remark
Chemical structure group: DG01314
Efficacy
Antidepressant, Serotonin receptor antagonist
Target
HTR1B [HSA:3351] [KO:K04153]
HTR1D [HSA:3352] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1B
     D03982  Elzasonan citrate (USAN)
    HTR1D
     D03982  Elzasonan citrate (USAN)
BRITE hierarchy
Other DBs
CAS: 361343-20-6
PubChem: 47205965
ChEMBL: CHEMBL3989903
LigandBox: D03982
KCF data Show

ATOM        42
            1   C1d C    36.4857  -17.9866
            2   C1b C    35.2773  -18.6812
            3   C1b C    37.6998  -18.6755
            4   C6a C    37.1803  -16.7667
            5   O1a O    35.7794  -16.7667
            6   C6a C    34.0690  -17.9924
            7   C6a C    37.7582  -20.0821
            8   O6a O    36.4683  -15.5467
            9   O6a O    38.5872  -16.7667
            10  O6a O    32.8489  -18.6929
            11  O6a O    34.0573  -16.5915
            12  O6a O    38.9723  -20.7886
            13  O6a O    36.5383  -20.7827
            14  C8x C    19.4808  -18.9941
            15  C8x C    19.4808  -20.3957
            16  C8x C    20.6945  -21.0965
            17  C8x C    21.9084  -20.3957
            18  C8y C    21.9084  -18.9941
            19  C8y C    20.6945  -18.2933
            20  N1y N    20.6945  -16.8919
            21  C1x C    21.8915  -16.2006
            22  C1x C    21.8913  -14.7991
            23  N1y N    20.6774  -14.0985
            24  C1x C    19.4806  -14.7896
            25  C1x C    19.4807  -16.1912
            26  S2x S    24.3360  -20.3957
            27  C2y C    24.3360  -18.9941
            28  C2b C    23.1222  -18.2933
            29  C1x C    25.5498  -21.0965
            30  C1x C    26.7636  -20.3957
            31  N1y N    26.7636  -18.9941
            32  C5x C    25.5498  -18.2933
            33  C8y C    27.9815  -18.2910
            34  C8x C    29.1803  -18.9833
            35  C8x C    30.3942  -18.2826
            36  C8y C    30.3944  -16.8810
            37  C8y C    29.1955  -16.1887
            38  C8x C    27.9816  -16.8894
            39  C1a C    20.6773  -12.6870
            40  O5x O    25.5498  -16.8920
            41  X   Cl   29.1957  -14.7895
            42  X   Cl   31.6175  -16.1748
BOND        44
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   14  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   20  25 1
            26   26  27 1
            27   27  28 2
            28   18  28 1
            29   26  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   27  32 1
            34   31  33 1
            35   33  34 2
            36   34  35 1
            37   35  36 2
            38   36  37 1
            39   37  38 2
            40   33  38 1
            41   23  39 1
            42   32  40 2
            43   37  41 1
            44   36  42 1

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