KEGG   DRUG: D07072Help
Entry
D07072                      Drug                                   

Name
Niperotidine (INN)
Formula
C20H26N4O5S
Exact mass
434.1624
Mol weight
434.5092
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Target
H2-receptor antagonist [HSA:3274] [KO:K04150]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  Gastric acid secretion  
 
Interaction
Drug interaction
Structure map
Histamine H2/H3 receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A02 DRUGS FOR ACID RELATED DISORDERS
   A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
    A02BA H2-receptor antagonists
     A02BA05 Niperotidine
      D07072  Niperotidine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H2-receptor [HSA:3274] [KO:K04150]
     Niperotidine [ATC:A02BA05]
      D07072  Niperotidine (INN)
BRITE hierarchy
Other DBs
CAS: 
84845-75-0
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C8y C    19.1100  -23.1700
            2   O2x O    20.1600  -24.0100
            3   C8x C    19.5300  -21.8400
            4   C1b C    17.8500  -23.8700
            5   C8y C    21.2800  -23.1700
            6   C8x C    20.8600  -21.8400
            7   N1c N    16.6600  -23.1700
            8   C1b C    22.4700  -23.8700
            9   C1a C    15.4700  -23.8700
            10  C1a C    16.6600  -21.7700
            11  S2a S    23.6600  -23.1700
            12  C1b C    24.9200  -23.8700
            13  C1b C    26.1100  -23.1700
            14  N1b N    27.3000  -23.8700
            15  C2c C    28.5600  -23.1700
            16  C2b C    29.7500  -23.8700
            17  N1b N    28.5600  -21.7700
            18  N2b N    30.9400  -23.1700 #+
            19  C1b C    27.3000  -21.0700
            20  O3a O    30.9400  -21.7700 #-
            21  O3a O    32.2000  -23.8700
            22  C8y C    27.2769  -19.6702
            23  C8x C    28.4946  -18.9399
            24  C8x C    28.4713  -17.5401
            25  C8y C    27.2474  -16.8604
            26  C8y C    26.0297  -17.5906
            27  C8x C    26.0530  -18.9904
            28  O2x O    26.9291  -15.4766
            29  C1x C    25.5148  -15.3517
            30  O2x O    24.9589  -16.6582
BOND        32
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     7  10 1
            10    8  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 2
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   18  21 2
            21    5   6 2
            22   19  22 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   22  27 1
            29   25  28 1
            30   28  29 1
            31   29  30 1
            32   26  30 1

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