KEGG   DRUG: Indinavir sulfateHelp
Entry
D00897                      Drug                                   

Name
Indinavir sulfate (USAN);
Crixivan (TN)
Product
Formula
C36H47N5O4. H2SO4
Exact mass
711.3302
Mol weight
711.868
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antiviral
 DG01647  HIV protease inhibitor
Cyp substrate
 DG01633  CYP3A substrate
Cyp inhibitor
 DG01522  CYP3A4 inhibitor
 DG01915  CYP3A5 inhibitor
Remark
Same as: C08089
ATC code: J05AE02
Chemical structure group: DG00654
Product (DG00654): D00897<US>
Efficacy
Antiviral, HIV protease inhibitor
Target
HIV protease [CPD:C19849]
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Drug interaction
Structure map
map07053  Anti-HIV agents
map07218  HIV protease inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AE Protease inhibitors
     J05AE02 Indinavir
      D00897  Indinavir sulfate (USAN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors
   Indinavir
    D00897  Indinavir sulfate (USAN)
Antiinfectives [br08350.html]
 Antivirals
  D00897
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00897
BRITE hierarchy
Other DBs
CAS: 157810-81-6
PubChem: 7847961
ChEBI: 5899
ChEMBL: CHEMBL1735
DrugBank: DB00224
LigandBox: D00897
NIKKAJI: J1.130.230K
KCF data Show

ATOM        50
            1   C8y C    11.4820  -15.1198
            2   C1y C    12.5280  -14.1436
            3   C8y C    10.2268  -14.3528
            4   C8x C    11.4820  -16.5145
            5   C1y C    11.9701  -12.8883
            6   N1b N    13.6437  -14.9106
            7   C1x C    10.5754  -13.0278
            8   C8x C     9.0413  -15.1198
            9   C8x C    10.2268  -17.1421
            10  O1a O    12.6675  -11.6331
            11  C5a C    14.9687  -14.0738
            12  C8x C     9.0413  -16.4448
            13  C1c C    16.2239  -14.8409
            14  O5a O    14.9687  -12.6791
            15  C1b C    16.2239  -16.2356
            16  C1b C    17.4094  -14.0738
            17  C8y C    14.9687  -16.8632
            18  C1c C    18.5949  -14.8409
            19  C8x C    14.9684  -18.2579
            20  C8x C    13.7832  -16.1659
            21  C1b C    19.8501  -14.1436
            22  O1a O    18.5949  -16.2356
            23  C8x C    13.7832  -18.9552
            24  C8x C    12.5977  -16.8632
            25  N1y N    21.0356  -14.8409
            26  C8x C    12.5977  -18.2579
            27  C1y C    22.2210  -14.1436
            28  C1x C    21.0356  -16.2356
            29  C1x C    23.4063  -14.8409
            30  C5a C    22.2210  -12.6791
            31  C1x C    22.2210  -16.9329
            32  N1y N    23.4065  -16.2356
            33  N1b N    23.4763  -11.9818
            34  O5a O    21.0356  -11.9818
            35  C1b C    24.6617  -16.9329
            36  C1d C    24.6617  -12.6791
            37  C8y C    25.8472  -16.2356
            38  C1a C    25.9170  -13.4462
            39  C1a C    24.0341  -13.7252
            40  C1a C    25.2894  -11.4937
            41  C8x C    25.8472  -14.8409
            42  C8x C    27.0327  -16.9329
            43  C8x C    27.0327  -14.1436
            44  N5x N    28.2879  -16.2356
            45  C8x C    28.2879  -14.8409
            46  S4a S    19.5014  -19.5131
            47  O1d O    20.8961  -19.5131
            48  O1d O    18.1067  -19.5131
            49  O1d O    19.5014  -18.1184
            50  O1d O    19.5014  -20.9078
BOND        53
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1 #Up
            10    6  11 1
            11    8  12 2
            12   11  13 1
            13   11  14 2
            14   13  15 1 #Up
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 2
            19   17  20 1
            20   18  21 1
            21   18  22 1 #Up
            22   19  23 1
            23   20  24 2
            24   21  25 1
            25   23  26 2
            26   25  27 1
            27   25  28 1
            28   27  29 1
            29   27  30 1 #Down
            30   28  31 1
            31   29  32 1
            32   30  33 1
            33   30  34 2
            34   32  35 1
            35   33  36 1
            36   35  37 1
            37   36  38 1
            38   36  39 1
            39   36  40 1
            40   37  41 1
            41   37  42 2
            42   41  43 2
            43   42  44 1
            44   43  45 1
            45    5   7 1
            46    9  12 1
            47   24  26 1
            48   31  32 1
            49   44  45 2
            50   46  47 1
            51   46  48 1
            52   46  49 2
            53   46  50 2

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