KEGG   DRUG: Tilarginine acetate
Entry
D09018                      Drug                                   

Name
Tilarginine acetate (USAN)
Formula
C7H16N4O2. C2H4O2
Exact mass
248.1485
Mol weight
248.2795
Structure
Simcomp
Efficacy
Nitric oxide synthase inhibitor
Comment
Nonselective nitric oxide synthase inhibitor
Treatment of cardiogenic shock complicating acute myocardial infarction
Target
NOS [HSA:4842 4843 4846] [KO:K13240 K13241 K13242]
  Pathway
hsa00220  Arginine biosynthesis
hsa00330  Arginine and proline metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Nitic oxide synthase
    NOS
     D09018  Tilarginine acetate (USAN)
Other DBs
CAS: 53308-83-1
PubChem: 96025701
ChEMBL: CHEMBL1256175
LigandBox: D09018
LinkDB
KCF data

ATOM        17
            1   C1b C    12.5383  -15.8685
            2   C1b C    13.8022  -16.5707
            3   C1c C    11.3447  -16.5005
            4   C1b C    14.9959  -15.8685
            5   C6a C    10.1510  -15.7983
            6   N1a N    11.3447  -17.9048
            7   N1b N    16.1895  -16.5707
            8   O6a O     8.9573  -16.4303
            9   O6a O    10.1510  -14.3940
            10  C2c C    17.4534  -15.9388
            11  N1b N    18.6471  -16.6409
            12  N2a N    17.4534  -14.4642
            13  C1a C    19.8690  -15.9487
            14  C6a C    24.8330  -15.7985
            15  C1a C    26.0491  -16.5007
            16  O6a O    23.6169  -16.5007
            17  O6a O    24.8330  -14.3942
BOND        15
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     4   7 1
            7     5   8 1
            8     5   9 2
            9     7  10 1
            10   10  11 1
            11   10  12 2
            12   11  13 1
            13   14  15 1
            14   14  16 1
            15   14  17 2

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