KEGG   DRUG: Alilusem potassium
Entry
D09772                      Drug                                   
Name
Alilusem potassium (JAN)
Formula
C17H14ClN2O5S. K
Exact mass
431.9949
Mol weight
432.92
Structure
Class
Cardiovascular agent
 DG01748  Loop diuretic
Efficacy
Diuretic, Na-K-Cl cotransporter inhibitor
Comment
loop diuretic
Target
SLC12A1 (NKCC2) [HSA:6557] [KO:K14425]
SLC12A2 (NKCC1) [HSA:6558] [KO:K10951]
Interaction
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01748  Loop diuretic
   D09772  Alilusem potassium
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC12
    SLC12A1 (NKCC2)
     D09772  Alilusem potassium (JAN)
    SLC12A2 (NKCC1)
     D09772  Alilusem potassium (JAN)
Other DBs
CAS: 114417-20-8
PubChem: 124490512
LigandBox: D09772
LinkDB
KCF data

ATOM        27
            1   C8x C    13.4400  -17.1500
            2   C8x C    13.4400  -18.5500
            3   C8y C    14.6300  -19.2500
            4   C8y C    15.8900  -18.5500
            5   C8x C    15.8900  -17.1500
            6   C8x C    14.6300  -16.4500
            7   C5a C    17.0800  -19.2500
            8   N1y N    18.2700  -18.5500
            9   C1x C    18.2700  -17.1500
            10  C8y C    19.5300  -19.2500
            11  C8y C    20.7200  -18.5500
            12  C2y C    20.7200  -17.1500
            13  C1x C    19.5300  -16.4500
            14  C8x C    19.5300  -20.6500
            15  C8y C    20.7200  -21.3500
            16  C8x C    21.9100  -20.6500
            17  C8x C    21.9100  -19.2500
            18  C1a C    14.6300  -20.6500
            19  O5a O    17.0800  -20.6500
            20  N2b N    21.9100  -16.4500
            21  O2a O    23.1000  -17.1500
            22  S4a S    24.2900  -16.4500
            23  O1d O    25.5500  -15.7500 #-
            24  X   Cl   20.7200  -22.7500
            25  O1d O    24.9900  -17.6400
            26  O1d O    23.5900  -15.2600
            27  Z   K    27.0200  -15.7500 #+
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 1
            14    9  13 1
            15   10  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   11  17 1
            20    3  18 1
            21    7  19 2
            22   12  20 2
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   15  24 1
            27   22  25 2
            28   22  26 2

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