KEGG   DRUG: SacubitrilHelp
Entry
D10225                      Drug                                   

Name
Sacubitril (JAN/USAN/INN)
Formula
C24H29NO5
Exact mass
411.2046
Mol weight
411.4908
Structure
Mol fileKCF fileDB search
Efficacy
Antihypertensive, Neprilysin inhibitor
Comment
Treatment of cardiovascular disease
Target
MME (CD10) [HSA:4311] [KO:K01389]
  Pathway
hsa04614  Renin-angiotensin system
hsa04640  Hematopoietic cell lineage
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Metallo peptidases
    MME (CD10)
     D10225  Sacubitril (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 149709-62-6
PubChem: 163312256
ChEMBL: CHEMBL3137301
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1a C    35.1400  -21.3500
            2   C1b C    33.8800  -20.6500
            3   O7a O    32.6900  -21.3500
            4   C7a C    31.5000  -20.6500
            5   C1c C    30.3100  -21.3500
            6   O6a O    31.5000  -19.1800
            7   C1b C    29.1200  -20.6500
            8   C1c C    27.9300  -21.3500
            9   N1b N    26.6700  -20.6500
            10  C5a C    25.4800  -21.3500
            11  C1b C    24.2900  -20.6500
            12  O5a O    25.4800  -22.7500
            13  C1b C    23.1000  -21.3500
            14  C6a C    21.9100  -20.6500
            15  O6a O    20.7200  -21.3500
            16  O6a O    21.9100  -19.1800
            17  C1b C    27.9472  -22.7499
            18  C1a C    30.3100  -22.7500
            19  C8y C    29.1551  -23.8476
            20  C8x C    28.4417  -25.0532
            21  C8x C    29.1265  -26.3444
            22  C8y C    30.5264  -26.2919
            23  C8x C    31.2486  -25.0764
            24  C8x C    30.5638  -23.8553
            25  C8y C    31.2523  -27.5132
            26  C8x C    30.5618  -28.7456
            27  C8x C    31.2773  -29.9489
            28  C8x C    32.6772  -29.9309
            29  C8x C    33.3677  -28.6985
            30  C8x C    32.6522  -27.4952
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 2
            6     5   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12   11  13 1
            13   13  14 1
            14   14  15 1
            15   14  16 2
            16    8  17 1 #Up
            17    5  18 1 #Down
            18   17  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 2
            24   19  24 1
            25   22  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   28  29 1
            30   29  30 2
            31   25  30 1

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