KEGG   DRUG: Sezolamide hydrochloride
Entry
D03845                      Drug                                   

Name
Sezolamide hydrochloride (USAN)
Formula
C11H18N2O4S3. HCl
Exact mass
374.0195
Mol weight
374.9276
Structure
Simcomp
Class
Cardiovascular agent
 DG01534  Carbonic anhydrase inhibitor
Efficacy
Antiglaucoma, Carbonic anhydrase inhibitor
Target
  Pathway
hsa04964  Proximal tubule bicarbonate reclamation
hsa04966  Collecting duct acid secretion
Interaction
Structure map
map07054  Antiglaucoma agents
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Aldehyde-lyases
    CA
     D03845  Sezolamide hydrochloride (USAN)
Other DBs
CAS: 119271-78-2
PubChem: 17397931
ChEMBL: CHEMBL1204135
LigandBox: D03845
KCF data

ATOM        21
            1   C8y C    34.6764  -16.2898
            2   C8y C    34.6764  -17.6939
            3   S2x S    35.8699  -15.6579
            4   S2x S    33.4126  -15.8685
            5   C1y C    35.8699  -18.3960
            6   C8x C    33.4126  -18.1152
            7   C1x C    37.0635  -16.2898
            8   O3c O    34.6062  -14.7452
            9   O3c O    36.9933  -14.8154
            10  C8y C    32.5701  -16.9918
            11  C1x C    37.0635  -17.6939
            12  N1b N    35.8699  -19.8002
            13  S4a S    31.1659  -16.9918
            14  C1b C    37.0635  -20.4321
            15  N1a N    31.1659  -18.6067
            16  O3c O    31.1659  -15.6579
            17  O3c O    29.7617  -16.9918
            18  C1c C    37.0635  -21.8363
            19  C1a C    35.8699  -22.5384
            20  C1a C    38.2570  -22.5384
            21  X   Cl   42.2800  -17.9200
BOND        21
            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   10  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 2
            16   13  17 2
            17   14  18 1
            18    6  10 2
            19    7  11 1
            20   18  19 1
            21   18  20 1

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