KEGG   DRUG: D08984Help
Entry
D08984                      Drug                                   

Name
Reparixin (USAN/INN)
Formula
C14H21NO3S
Exact mass
283.1242
Mol weight
283.3864
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Prevention of delayed graft function in solid organ transplant [CXCL inhibitor]
Target
chemokine (C-X-C motif) receptor 1 (CRCX1) antagonist [HSA:3577] [KO:K04175];
chemokine (C-X-C motif) receptor 2 (CRCX2) antagonist [HSA:3579] [KO:K05050]
  Pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04062  Chemokine signaling pathway  
 
Brite
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Chemokine receptors
   chemokine receptor 1 (CXCR1) [HSA:3577] [KO:K04175]
    Reparixin
     D08984  Reparixin (INN/USAN)
   chemokine receptor 2 (CXCR2) [HSA:3579] [KO:K05050]
    Reparixin
     D08984  Reparixin (INN/USAN)
BRITE hierarchy
Other DBs
CAS: 
266359-83-5
PubChem: 
LigandBox: 
KCF data Show

ATOM        19
            1   C8x C    14.9100  -14.2800
            2   C8y C    14.9100  -15.6800
            3   C8x C    16.1224  -16.3800
            4   C8x C    17.3349  -15.6800
            5   C8y C    17.3349  -14.2800
            6   C8x C    16.1224  -13.5800
            7   C1c C    18.5724  -13.5800
            8   C5a C    19.7849  -14.2800
            9   N1b N    20.9973  -13.5800
            10  O5a O    19.7849  -15.6798
            11  C1b C    13.6976  -16.3800
            12  C1c C    12.5021  -15.6896
            13  C1a C    11.3147  -16.3751
            14  C1a C    12.5020  -14.2803
            15  C1a C    18.5785  -12.1803
            16  S4a S    22.2118  -14.2812
            17  C1a C    23.4242  -14.9812
            18  O3c O    21.5071  -15.5021
            19  O3c O    22.9067  -13.0774
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2
            11    2  11 1
            12   11  12 1
            13   12  13 1
            14   12  14 1
            15    7  15 1 #Up
            16    9  16 1
            17   16  17 1
            18   16  18 2
            19   16  19 2

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