KEGG   DRUG: Candoxatrilat
Entry
D03349                      Drug                                   
Name
Candoxatrilat (USAN/INN)
Formula
C20H33NO7
Exact mass
399.2257
Mol weight
399.4785
Structure
Simcomp
Efficacy
Antihypertensive, Neprilysin inhibitor
Target
MME (CD10) [HSA:4311] [KO:K01389]
  Pathway
hsa04614  Renin-angiotensin system
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Metallo peptidases
    MME (CD10)
     D03349  Candoxatrilat (USAN/INN)
Other DBs
CAS: 123122-54-3
PubChem: 17397499
ChEBI: 3354
LigandBox: D03349
NIKKAJI: J384.296G
KCF data

ATOM        28
            1   C1z C    28.2307  -14.7800
            2   C1x C    29.3701  -13.9670
            3   C1x C    28.9450  -12.6291
            4   C1x C    27.5415  -12.6211
            5   C1x C    27.1036  -13.9505
            6   O2a O    24.6054  -12.6625
            7   C1b C    25.8139  -13.3684
            8   C1c C    25.8068  -14.7678
            9   C1b C    27.0152  -15.4737
            10  C6a C    24.5912  -15.4615
            11  O6a O    23.3829  -14.7556
            12  O6a O    24.5842  -16.8610
            13  C5a C    29.4392  -15.4859
            14  N1b N    30.6546  -14.7923
            15  O5a O    29.5020  -16.8854
            16  C1y C    31.8630  -15.4981
            17  C1x C    31.8498  -16.8971
            18  C1x C    33.0583  -17.6032
            19  C1y C    34.2738  -16.9095
            20  C1x C    34.2809  -15.5100
            21  C1x C    33.0723  -14.8041
            22  C6a C    35.4822  -17.6154
            23  C1b C    23.4129  -13.3435
            24  C1b C    22.1917  -12.6304
            25  O2a O    20.9878  -13.3172
            26  C1a C    19.7810  -12.6121
            27  O6a O    36.6935  -16.9243
            28  O6a O    35.4747  -19.0402
BOND        29
            1     4   5 1
            2    16  14 1 #Up
            3     6   7 1
            4     5   1 1
            5     8   7 1 #Down
            6     8   9 1
            7    16  17 1
            8    17  18 1
            9    18  19 1
            10   19  20 1
            11   20  21 1
            12   21  16 1
            13    1   2 1
            14   19  22 1 #Up
            15    8  10 1
            16   10  11 1
            17    2   3 1
            18   10  12 2
            19    9   1 1
            20    1  13 1
            21    3   4 1
            22   13  14 1
            23   13  15 2
            24    6  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   22  27 1
            29   22  28 2

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Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (7)   

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