KEGG   DRUG: GemopatrilatHelp
Entry
D04312                      Drug                                   

Name
Gemopatrilat (USAN/INN)
Formula
C19H26N2O4S
Exact mass
378.1613
Mol weight
378.4857
Structure
Mol fileKCF fileDB search
Efficacy
Antihypertensive
Comment
Treatment of hypertension and congestive heart failure (vasopeptidase inhibitor)
Target
ACE (CD143) [HSA:1636] [KO:K01283]
  Pathway
hsa04614  Renin-angiotensin system
hsa04924  Renin secretion
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Peptidyl-dipeptidases
    ACE (CD143)
     D04312  Gemopatrilat (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 160135-92-2
PubChem: 47206240
ChEMBL: CHEMBL107747 CHEMBL114658
LigandBox: D04312
LinkDB All DBs
KCF data Show

ATOM        26
            1   C1y C    20.3700  -16.8700
            2   C5x C    21.5600  -16.2400
            3   C1x C    20.0200  -18.2700
            4   N1y N    22.8200  -16.7300
            5   C1x C    20.9300  -19.3200
            6   C1z C    23.1700  -18.1300
            7   C1x C    22.4000  -19.3200
            8   C5a C    17.9200  -16.9400
            9   N1b N    19.1100  -16.1700
            10  C1c C    16.7300  -16.2400
            11  C1b C    15.5400  -16.9400
            12  C8y C    14.2800  -16.2400
            13  C1a C    24.5000  -18.6900
            14  C1a C    23.3800  -19.4600
            15  O5a O    17.9200  -18.2700
            16  S1a S    16.7300  -14.7700
            17  C8x C    13.0900  -16.9400
            18  C8x C    11.8300  -16.2400
            19  C8x C    11.8300  -14.8400
            20  C8x C    13.0900  -14.1400
            21  C8x C    14.2800  -14.8400
            22  O5x O    21.5600  -14.8400
            23  C1b C    24.0100  -16.0300
            24  C6a C    25.2000  -16.7300
            25  O6a O    26.3900  -16.0300
            26  O6a O    25.2000  -18.1300
BOND        27
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   7 1
            8     8   9 1
            9     1   9 1 #Down
            10    8  10 1
            11   10  11 1
            12   11  12 1
            13    6  13 1
            14    6  14 1
            15    8  15 2
            16   10  16 1 #Down
            17   12  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   12  21 1
            23    2  22 2
            24   23  24 1
            25   23   4 1
            26   24  25 1
            27   24  26 2

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