KEGG   DRUG: AtorvastatinHelp
Entry
D07474                      Drug                                   

Name
Atorvastatin (INN);
Lipitor (TN);
Sortis (TN)
Formula
C33H35FN2O5
Exact mass
558.253
Mol weight
558.6398
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01660  HMG-CoA reductase inhibitor
 DG01946  Hypolipidemic agent
  DG01660  HMG-CoA reductase inhibitor
Enzyme substrate
 DG01633  CYP3A substrate
Remark
Same as: C06834
ATC code: C10AA05
Chemical structure group: DG00355
Product (DG00355): D00887<US> D02258<JP/US> D11095<US>
Product (mixture): D10385<JP>
Efficacy
Antihyperlipidemic, HMG-CoA reductase inhibitor
Target
HMGCR [HSA:3156] [KO:K00021]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
map07024  HMG-CoA reductase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C10 LIPID MODIFYING AGENTS
   C10A LIPID MODIFYING AGENTS, PLAIN
    C10AA HMG CoA reductase inhibitors
     C10AA05 Atorvastatin
      D07474  Atorvastatin (INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Dyslipidemics, HMG CoA Reductase Inhibitors
   Atorvastatin
    D07474  Atorvastatin (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    HMGCR
     D07474  Atorvastatin (INN)
BRITE hierarchy
Other DBs
CAS: 134523-00-5
PubChem: 51091801
ChEBI: 39548
ChEMBL: CHEMBL1487
PDB-CCD: 117[PDBj]
LigandBox: D07474
NIKKAJI: J596.930A
LinkDB All DBs
KCF data Show

ATOM        41
            1   C8y C    26.8100  -17.9900
            2   C8y C    25.4100  -17.9900
            3   C8y C    27.2300  -16.7300
            4   C8y C    27.5800  -19.0400
            5   N4y N    25.0600  -16.6600
            6   C8y C    24.6400  -19.0400
            7   C8y C    26.1100  -15.8900
            8   C5a C    28.4900  -15.9600
            9   C8x C    26.8800  -20.2300
            10  C8x C    28.9100  -19.0400
            11  C1b C    23.8000  -15.8200
            12  C8x C    25.3400  -20.1600
            13  C8x C    23.3100  -19.0400
            14  C1c C    26.1100  -14.2100
            15  N1b N    29.7500  -16.5900
            16  O5a O    28.4900  -14.7000
            17  C8x C    27.5800  -21.4200
            18  C8x C    29.5400  -20.2300
            19  C1b C    22.5400  -16.5900
            20  C8x C    24.6400  -21.3500
            21  C8x C    22.6100  -20.1600
            22  C1a C    27.6500  -13.3700
            23  C1a C    24.6400  -13.3700
            24  C8y C    31.0100  -15.8200
            25  C8x C    28.9100  -21.4200
            26  C1c C    21.2800  -15.9600
            27  C8y C    23.3100  -21.3500
            28  C8x C    31.0100  -14.4900
            29  C8x C    32.1300  -16.5200
            30  C1b C    20.0200  -16.7300
            31  O1a O    21.2800  -14.5600
            32  X   F    22.6100  -22.4700
            33  C8x C    32.1300  -13.7900
            34  C8x C    33.3200  -15.8200
            35  C1c C    18.8300  -15.9600
            36  C8x C    33.3200  -14.4900
            37  C1b C    17.5000  -16.7300
            38  O1a O    18.8300  -14.4900
            39  C6a C    16.2400  -15.9600
            40  O6a O    14.9800  -16.6600
            41  O6a O    16.2400  -14.4900
BOND        44
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 2
            17   10  18 1
            18   11  19 1
            19   12  20 1
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   15  24 1
            24   17  25 1
            25   19  26 1
            26   20  27 2
            27   24  28 2
            28   24  29 1
            29   26  30 1
            30   26  31 1 #Down
            31   27  32 1
            32   28  33 1
            33   29  34 2
            34   30  35 1
            35   33  36 2
            36   35  37 1
            37   35  38 1 #Down
            38   37  39 1
            39   39  40 1
            40   39  41 2
            41    5   7 1
            42   18  25 2
            43   21  27 1
            44   34  36 1

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