KEGG   COMPOUND: C06969
Entry
C06969                      Compound                               
Name
Dorzolamide
Formula
C10H16N2O4S3
Exact mass
324.0272
Mol weight
324.44
Structure
Remark
Same as: D07871
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EC Carbonic anhydrase inhibitors
     S01EC03 Dorzolamide
      D07871  Dorzolamide (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01534  Carbonic anhydrase inhibitor
   DG01135  Dorzolamide
    D07871  Dorzolamide
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG01135  Dorzolamide
    D07871  Dorzolamide
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG01135  Dorzolamide
    D07871  Dorzolamide
  DG01639  CYP2C19 substrate
   DG01135  Dorzolamide
    D07871  Dorzolamide
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01135  Dorzolamide
     D07871  Dorzolamide
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Aldehyde-lyases
    CA
     D07871  Dorzolamide (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07871
Other DBs
CAS: 120279-96-1
PubChem: 9183
ChEBI: 4702
PDB-CCD: ETS[PDBj]
NIKKAJI: J488.895B
KCF data

ATOM        19
            1   C8y C    21.7000  -14.7700
            2   C8y C    21.7000  -16.1700
            3   S2x S    22.8900  -14.1400
            4   S2x S    20.3700  -14.3500
            5   C1y C    22.8900  -16.8700
            6   C8x C    20.3700  -16.5900
            7   C1y C    24.0800  -14.7700
            8   O3c O    21.6300  -13.2300
            9   O3c O    24.0100  -13.3000
            10  C8y C    19.6000  -15.4700
            11  C1x C    24.0800  -16.1700
            12  N1b N    22.8900  -18.2700
            13  C1a C    25.2700  -14.1400
            14  S4a S    18.2000  -15.4700
            15  C1b C    24.0800  -18.9000
            16  N1a N    18.2000  -17.0800
            17  O3c O    18.2000  -14.1400
            18  O3c O    16.7300  -15.4700
            19  C1a C    24.0800  -20.3000
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     3   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Down
            12    7  13 1 #Up
            13   10  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 2
            17   14  18 2
            18    6  10 2
            19    7  11 1
            20   15  19 1

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

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