KEGG   DRUG: Lupitidine hydrochlorideHelp
Entry
D04794                      Drug                                   

Name
Lupitidine hydrochloride (USAN)
Formula
C21H27N5O2S. 3HCl
Exact mass
521.1186
Mol weight
522.9192
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Gastrointestinal agent
 DG01481  Histamine receptor H2 antagonist
Activity
Anti-ulcerative, H2 receptor antagonist (veterinary)
Target
HRH2 [HSA:3274] [KO:K04150]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretion
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H2-receptor
     Lupitidine
      D04794  Lupitidine hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
72716-75-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        32
            1   X   Cl   28.1246  -22.9939
            2   C8x C    13.7200  -17.9900
            3   C8y C    13.3000  -19.3200
            4   O2x O    14.4200  -20.1600
            5   C8y C    15.5400  -19.3200
            6   C8x C    15.1200  -17.9900
            7   C1b C    16.7300  -20.0200
            8   S2a S    17.9200  -19.3200
            9   C1b C    19.1100  -20.0200
            10  C1b C    20.3000  -19.3200
            11  N1b N    21.4900  -20.0200
            12  C8y C    22.6800  -19.3200
            13  N4x N    23.8700  -20.0200
            14  C8x C    25.1300  -19.3200
            15  C8y C    25.1300  -17.9200
            16  C8y C    23.9400  -17.2200
            17  N5x N    22.6800  -17.9200
            18  O5x O    23.9400  -15.8200
            19  C1b C    26.3200  -17.2200
            20  C8y C    27.5100  -17.9200
            21  C8x C    27.5100  -19.3200
            22  N5x N    28.7000  -20.0200
            23  C8y C    29.9600  -19.3200
            24  C8x C    29.9600  -17.9200
            25  C8x C    28.7700  -17.2200
            26  C1a C    31.1500  -20.0200
            27  N1c N    10.9200  -19.3200
            28  C1b C    12.1100  -20.0200
            29  C1a C     9.7300  -20.0200
            30  C1a C    10.9200  -17.9200
            31  X   Cl   28.1246  -22.9939
            32  X   Cl   28.1246  -22.9939
BOND        31
            1     2   3 2
            2     3   4 1
            3     4   5 1
            4     5   6 2
            5     2   6 1
            6     5   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 1
            17   12  17 2
            18   16  18 2
            19   15  19 1
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   20  25 1
            27   23  26 1
            28   27  28 1
            29   28   3 1
            30   27  29 1
            31   27  30 1
BRACKET     1    26.5300  -23.8000   26.5300  -22.0500
            1    28.7700  -22.0500   28.7700  -23.8000
            1  3
 ORIGINAL  1    1
 REPEAT    1   31  32

» Japanese version   » Back

DBGET integrated database retrieval system