KEGG   DRUG: D03120Help
Entry
D03120                      Drug                                   

Name
Binodenoson (USAN/INN)
Formula
C17H25N7O4
Exact mass
391.1968
Mol weight
391.4249
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Coronary vasodilator used in the diagnosis of coronary heart disease [adenosine A2A agonist]
Target
adenosine A2a receptor agonist [HSA:135] [KO:K04266]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    adenosine A2a receptor
     Binodenoson
      D03120  Binodenoson (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
144348-08-3
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C1y C    30.1257  -14.8971
            2   O2x O    28.9788  -14.0864
            3   C1y C    27.8581  -14.9255
            4   C1y C    28.3099  -16.2507
            5   C1y C    29.7097  -16.2305
            6   C8y C    32.5500  -15.5400
            7   N5x N    32.5500  -16.9400
            8   C8y C    33.7624  -17.6400
            9   N5x N    34.9749  -16.9400
            10  C8y C    34.9749  -15.5400
            11  C8y C    33.7624  -14.8400
            12  N5x N    33.4713  -13.4706
            13  C8x C    32.0790  -13.3243
            14  N4y N    31.5096  -14.6032
            15  N1a N    36.2060  -14.8290
            16  N1b N    33.7624  -19.0398
            17  C1b C    26.5180  -14.5113
            18  O1a O    27.4988  -17.4018
            19  O1a O    30.5409  -17.3440
            20  O1a O    25.5082  -15.4470
            21  N2b N    34.9580  -19.7302
            22  C2b C    36.1452  -19.0448
            23  C1y C    37.3366  -19.7328
            24  C1x C    37.3366  -21.1397
            25  C1x C    38.5490  -21.8398
            26  C1x C    39.7614  -21.1398
            27  C1x C    39.7614  -19.7328
            28  C1x C    38.5490  -19.0328
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    6  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15    6  14 1
            16   10  15 1
            17    8  16 1
            18    1  14 1 #Up
            19    3  17 1 #Up
            20    4  18 1 #Down
            21    5  19 1 #Down
            22   17  20 1
            23   16  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   23  28 1

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