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)
    Reparixin
     D08984  Reparixin (INN/USAN)
   chemokine receptor 2 (CXCR2)
    Reparixin
     D08984  Reparixin (INN/USAN)
BRITE hierarchy
Other DBs
CAS: 
266359-83-5
PubChem: 
LigandBox: 
KCF data Show

ATOM        19
            1   C8y C    16.3800  -19.1800
            2   C8x C    16.3800  -20.5800
            3   C8x C    17.5924  -21.2800
            4   C8y C    18.8049  -20.5800
            5   C8x C    18.8049  -19.1800
            6   C8x C    17.5924  -18.4800
            7   C1c C    15.1676  -18.4800
            8   C5a C    13.9721  -19.1704
            9   N1b N    12.7847  -18.4849
            10  O5a O    13.9720  -20.5797
            11  S4a S    11.5935  -19.1729
            12  C1a C    10.4040  -18.4862
            13  C1b C    20.0360  -21.2910
            14  C1c C    21.2412  -20.5953
            15  C1a C    22.4235  -21.2781
            16  C1a C    21.2416  -19.1804
            17  C1a C    15.1675  -17.0802
            18  O3c O    10.6035  -20.1629
            19  O3c O    12.2935  -20.3853
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     1   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13    4  13 1
            14   13  14 1
            15   14  15 1
            16   14  16 1
            17    7  17 1 #Down
            18   11  18 2
            19   11  19 2

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