KEGG   DRUG: D07509Help
Entry
D07509                      Drug                                   

Name
Benidipine (INN)
Formula
C28H31N3O6
Exact mass
505.2213
Mol weight
505.5622
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Calcium antagonist
Remark
ATC code: 
Target
calcium channel L type blocker [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04010  MAPK signaling pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04270  Vascular smooth muscle contraction  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
Calcium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08C SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
    C08CA Dihydropyridine derivatives
     C08CA15 Benidipine
      D07509  Benidipine (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated cation channels
   Ca2+ channel, CACN alpha-1, CaVx.x
    calcium channel L type [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
     Benidipine [ATC:C08CA15]
      D07509  Benidipine (INN)
BRITE hierarchy
Other DBs
CAS: 
105979-17-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        37
            1   C2y C    19.3900  -14.4900
            2   C2y C    19.3900  -15.8900
            3   C1y C    20.5800  -16.5900
            4   C2y C    21.7700  -15.8900
            5   C2y C    21.7700  -14.4900
            6   N1x N    20.5800  -13.7900
            7   C1a C    18.2000  -13.7900
            8   C1a C    22.9600  -13.7900
            9   C8y C    20.5800  -17.9200
            10  C8x C    19.3900  -18.6200
            11  C8x C    19.3900  -20.0200
            12  C8x C    20.5800  -20.7200
            13  C8y C    21.7700  -20.0200
            14  C8x C    21.7700  -18.6200
            15  N2b N    22.9600  -20.7200 #+
            16  O3a O    24.5000  -19.6700
            17  O3a O    22.9600  -22.1200 #-
            18  C7a C    22.9600  -16.5900
            19  O7a O    24.2200  -15.8900
            20  O6a O    22.9600  -17.9200
            21  C1y C    25.4100  -16.5900
            22  C1x C    25.4100  -17.9200
            23  C1x C    26.6000  -18.6200
            24  C1x C    27.7900  -17.9200
            25  N1y N    27.7900  -16.5900
            26  C1x C    26.6000  -15.8900
            27  C1b C    28.9800  -15.8900
            28  C8y C    30.2400  -16.5900
            29  C7a C    18.2000  -16.5900
            30  O7a O    16.9400  -15.8900
            31  O6a O    18.2000  -17.9200
            32  C1a C    15.7500  -16.5900
            33  C8x C    30.2400  -17.9200
            34  C8x C    31.4300  -18.6200
            35  C8x C    32.6200  -17.9200
            36  C8x C    32.6200  -16.5900
            37  C8x C    31.4300  -15.8900
BOND        40
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     5   8 1
            9     3   9 1 #Down
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   13  15 1
            17   15  16 2
            18   15  17 1
            19    4  18 1
            20   18  19 1
            21   18  20 2
            22   21  19 1 #Up
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   21  26 1
            29   25  27 1
            30   27  28 1
            31    2  29 1
            32   29  30 1
            33   29  31 2
            34   30  32 1
            35   28  33 2
            36   33  34 1
            37   34  35 2
            38   35  36 1
            39   36  37 2
            40   28  37 1

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