KEGG   DRUG: BinodenosonHelp
Entry
D03120                      Drug                                   

Name
Binodenoson (USAN/INN)
Formula
C17H25N7O4
Exact mass
391.1968
Mol weight
391.4249
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Vasodilator (coronary), Adenosine A2a receptor agonist
Comment
Coronary vasodilator used in the diagnosis of coronary heart disease
Target
ADORA2A [HSA:135] [KO:K04266]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
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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