KEGG   DRUG: LemildipineHelp
Entry
D01151                      Drug                                   

Name
Lemildipine (JAN/INN)
Formula
C20H22Cl2N2O6
Exact mass
456.0855
Mol weight
457.3045
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01928  Dihydropyridine calcium channel blocker
Efficacy
Antihypertensive, Calcium channel blocker
Comment
Dihydropyridine derivative
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D01151  Lemildipine (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 125729-29-5
PubChem: 7848214
ChEBI: 31769
ChEMBL: CHEMBL2104876
LigandBox: D01151
NIKKAJI: J388.171G
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1y C    25.0931  -18.6097
            2   C8y C    25.0755  -20.9533
            3   C2y C    23.9124  -17.9317
            4   C2y C    26.2736  -17.9377
            5   C8y C    23.8890  -21.6313
            6   C8x C    26.2562  -21.6430
            7   C2y C    23.9183  -16.5641
            8   C7a C    22.7259  -18.6039
            9   C2y C    26.2795  -16.5758
            10  C7a C    27.4484  -18.6214
            11  C8y C    23.8890  -22.9989
            12  X   Cl   22.7085  -20.9475
            13  C8x C    26.2502  -22.9989
            14  N1x N    25.0988  -15.8861
            15  C1a C    22.7376  -15.8803
            16  O7a O    21.5512  -17.9260
            17  O6a O    22.7259  -19.9773
            18  C1b C    27.4601  -15.8920
            19  O7a O    28.6348  -17.9494
            20  O6a O    27.4426  -19.9890
            21  C8x C    25.0638  -23.6828
            22  X   Cl   22.7025  -23.6828
            23  C1a C    20.3707  -18.6039
            24  C1c C    29.8155  -18.6331
            25  C1a C    29.8137  -20.0314
            26  C1a C    31.0274  -17.9355
            27  O7a O    28.6719  -16.5895
            28  C7a C    29.8820  -15.8887
            29  N1a N    31.0940  -16.5861
            30  O6a O    29.8801  -14.4903
BOND        31
            1     3   7 2
            2     3   8 1
            3     4   9 2
            4     4  10 1
            5     5  11 1
            6     5  12 1
            7     6  13 2
            8     7  14 1
            9     7  15 1
            10    8  16 1
            11    8  17 2
            12    9  18 1
            13   10  19 1
            14   10  20 2
            15   11  21 2
            16   11  22 1
            17   16  23 1
            18   19  24 1
            19    9  14 1
            20   13  21 1
            21   24  25 1
            22    1   2 1
            23   24  26 1
            24    1   3 1
            25   18  27 1
            26    1   4 1
            27   27  28 1
            28    2   5 2
            29   28  29 1
            30    2   6 1
            31   28  30 2

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