KEGG   DRUG: Sivelestat
Entry
D03788                      Drug                                   
Name
Sivelestat (USAN/INN)
Formula
C20H22N2O7S
Exact mass
434.1148
Mol weight
434.4629
Structure
Simcomp
Remark
Chemical structure group: DG01401
Product (DG01401): D01918<JP>
Efficacy
Anti-inflammatory disease, Elastase inhibitor
Comment
Treatment of acute lung injury, Acute respiratory distress syndrome
Target
ELANE [HSA:1991] [KO:K01327]
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Serine peptidases
    ELANE
     D03788  Sivelestat (USAN/INN)
Other DBs
CAS: 127373-66-4
PubChem: 17397876
LigandBox: D03788
NIKKAJI: J464.383F
KCF data

ATOM        30
            1   C8y C    30.5900  -18.2000
            2   S4a S    31.7800  -17.5000
            3   C8x C    30.5900  -19.6000
            4   C8x C    29.4700  -17.5000
            5   N1b N    32.9700  -18.2000
            6   C8x C    29.4700  -20.2300
            7   C8x C    28.2800  -18.2000
            8   C8y C    34.1600  -17.5000
            9   C8y C    28.2800  -19.6000
            10  C8x C    34.1600  -16.1700
            11  C8y C    35.3500  -18.2000
            12  O7a O    27.0900  -20.2300
            13  C8x C    35.3500  -15.4700
            14  C8x C    36.5400  -17.5000
            15  C7a C    25.6900  -19.5300
            16  C8x C    36.5400  -16.1700
            17  C1d C    24.3600  -20.3000
            18  C1a C    24.3600  -21.8400
            19  C1a C    23.0300  -19.5300
            20  C5a C    35.3500  -19.5300
            21  O5a O    34.1600  -20.2300
            22  N1b N    36.5400  -20.2300
            23  C1b C    37.6600  -19.5300
            24  C6a C    38.8500  -20.2300
            25  O6a O    40.0400  -19.5300
            26  O6a O    38.8500  -21.5600
            27  O6a O    25.6900  -17.9900
            28  C1a C    23.0300  -21.0700
            29  O3c O    31.7800  -16.1000
            30  O3c O    31.7800  -18.9000
BOND        31
            1     2   5 1
            2     3   6 2
            3     4   7 1
            4     5   8 1
            5     6   9 1
            6     8  10 1
            7     8  11 2
            8     9  12 1
            9    10  13 2
            10   11  14 1
            11   12  15 1
            12   13  16 1
            13   15  17 1
            14   17  18 1
            15   17  19 1
            16    7   9 2
            17   14  16 2
            18   11  20 1
            19   20  21 2
            20   20  22 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24    1   2 1
            25   24  26 2
            26    1   3 1
            27   15  27 2
            28    1   4 2
            29   17  28 1
            30    2  29 2
            31    2  30 2

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Ontology (1)   
   KEGG BRITE (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (7)   

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