KEGG   DRUG: Sematilide hydrochloride
Entry
D04955                      Drug                                   

Name
Sematilide hydrochloride (USAN)
Formula
C14H23N3O3S. HCl
Exact mass
349.1227
Mol weight
349.8767
Structure
Simcomp
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01648  Class III antiarrhythmic agent
Efficacy
Antiarrhythmic, Potassium channel blocker
Comment
Sematilide derivative
Target
KCNH2 [HSA:3757] [KO:K04905]
Interaction
Structure map
map07037  Antiarrhythmic drugs
map07232  Potassium channel blocking and opening drugs
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Potassium channels
    KCNH2
     D04955  Sematilide hydrochloride (USAN)
Other DBs
CAS: 101526-62-9
PubChem: 17398229
ChEMBL: CHEMBL553757
LigandBox: D04955
LinkDB
KCF data

ATOM        22
            1   N1b N    27.7900  -22.5400
            2   S4a S    28.9800  -21.8400
            3   C1a C    30.2400  -22.5400
            4   C8y C    26.6000  -21.8400
            5   C8x C    25.4100  -22.5400
            6   C8x C    24.1500  -21.8400
            7   C8y C    24.1500  -20.4400
            8   C8x C    25.4100  -19.7400
            9   C8x C    26.6000  -20.4400
            10  C5a C    22.9600  -19.7400
            11  O5a O    22.9600  -18.3400
            12  N1b N    21.7700  -20.4400
            13  C1b C    20.5100  -19.7400
            14  C1b C    19.3200  -20.4400
            15  N1c N    18.1300  -19.7400
            16  C1b C    18.1300  -18.3400
            17  C1b C    16.8700  -20.4400
            18  C1a C    15.6800  -19.7400
            19  C1a C    16.8700  -17.6400
            20  O3c O    30.1700  -21.1400
            21  O3c O    27.7200  -21.1400
            22  X   Cl   34.4400  -21.2100
BOND        21
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     4   9 2
            10    7  10 1
            11   10  11 2
            12   10  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   15  17 1
            18   17  18 1
            19   16  19 1
            20    2  20 2
            21    2  21 2

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