KEGG   DRUG: Niperotidine
Entry
D07072                      Drug                                   
Name
Niperotidine (INN)
Formula
C20H26N4O5S
Exact mass
434.1624
Mol weight
434.51
Structure
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
  DG01481  Histamine receptor H2 antagonist
Remark
ATC code: A02BA05
Efficacy
Anti-ulcerative, H2 receptor antagonist
Target
HRH2 [HSA:3274] [KO:K04150]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  Gastric acid secretion
Interaction
Structure map
map07227  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)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01481  Histamine receptor H2 antagonist
    D07072  Niperotidine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH2
     D07072  Niperotidine (INN)
Other DBs
CAS: 84845-75-0
PubChem: 51091414
LigandBox: D07072
NIKKAJI: J309.506A
LinkDB
KCF data

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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