KEGG   DRUG: BunazosinHelp
Entry
D07550                      Drug                                   

Name
Bunazosin (INN)
Formula
C19H27N5O3
Exact mass
373.2114
Mol weight
373.4494
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01457  alpha1-Adrenergic receptor antagonist
Remark
Chemical group: 
Activity
Antihypertensive, alpha1-Adrenergic receptor antagonist
Comment
Prazosin derivative
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Salivary secretion
Interaction
Drug interaction
Structure map
Antiglaucoma agents
alpha-Adrenergic receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Bunazosin
      D07550  Bunazosin (INN)
BRITE hierarchy
Other DBs
CAS: 
80755-51-7
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        27
            1   C8y C    29.2600  -18.8300
            2   C8y C    29.2600  -20.2300
            3   C8x C    28.0000  -20.9300
            4   C8x C    28.0000  -18.1300
            5   C8y C    26.8100  -18.8300
            6   C8y C    26.8100  -20.2300
            7   C8y C    25.6200  -20.9300
            8   N5x N    24.3600  -20.2300
            9   C8y C    24.3600  -18.8300
            10  N5x N    25.6200  -18.1300
            11  N1y N    23.1700  -18.1300
            12  C1x C    23.1700  -16.7300
            13  C1x C    22.1900  -15.8200
            14  C1x C    21.9800  -18.9700
            15  N1y N    20.8600  -16.0300
            16  C1x C    20.6500  -18.5500
            17  C1x C    20.1600  -17.2200
            18  C5a C    20.1600  -14.7700
            19  C1b C    18.7600  -14.7700
            20  C1b C    18.0600  -13.5800
            21  C1a C    16.6600  -13.5800
            22  O5a O    20.8600  -13.5800
            23  O2a O    30.4500  -18.1300
            24  C1a C    31.6400  -18.8300
            25  O2a O    30.4500  -20.9300
            26  C1a C    31.6400  -20.2300
            27  N1a N    25.6200  -22.3300
BOND        29
            1    12  13 1
            2     1   2 2
            3    11  14 1
            4     2   3 1
            5    13  15 1
            6     3   6 2
            7    14  16 1
            8     5   4 2
            9    15  17 1
            10   16  17 1
            11    5   6 1
            12   15  18 1
            13    6   7 1
            14   18  19 1
            15    7   8 2
            16   19  20 1
            17    8   9 1
            18   20  21 1
            19    9  10 2
            20   18  22 2
            21   10   5 1
            22    1  23 1
            23    4   1 1
            24   23  24 1
            25    9  11 1
            26    2  25 1
            27   25  26 1
            28   11  12 1
            29    7  27 1

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