KEGG   DRUG: Varespladib sodiumHelp
Entry
D06283                      Drug                                   

Name
Varespladib sodium (USAN)
Formula
C21H19N2O5. Na
Exact mass
402.1192
Mol weight
402.3757
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01394
Efficacy
Anti-inflammatory, Secretory phospholipase A2 inhibitor
Comment
Treatment of sepsis
Target
PLA2G [HSA:26279 30814 391013 50487 5319 5320 5322 64600 81579 8399 84647] [KO:K01047]
PLA2G7 (LP-PLA2) [HSA:7941] [KO:K01062]
  Pathway
hsa04975  Fat digestion and absorption
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    PLA2G
     D06283  Varespladib sodium (USAN)
    PLA2G7 (LP-PLA2)
     D06283  Varespladib sodium (USAN)
BRITE hierarchy
Other DBs
CAS: 172733-42-5
PubChem: 47207940
ChEMBL: CHEMBL2107809
LigandBox: D06283
LinkDB All DBs
KCF data Show

ATOM        29
            1   Z   Na   13.7711  -15.9831 #+
            2   C1b C    19.2005  -19.4572
            3   C8y C    20.4094  -20.1551
            4   N4y N    19.2002  -18.0640
            5   C8x C    20.4098  -21.5745
            6   C8x C    21.6263  -22.2764
            7   C8x C    22.8424  -21.5738
            8   C8x C    22.8419  -20.1543
            9   C8x C    21.6255  -19.4525
            10  C8y C    20.3258  -17.2456
            11  C8y C    19.8955  -15.9222
            12  C8y C    18.5037  -15.9226
            13  C8y C    18.0740  -17.2462
            14  C8y C    17.5637  -14.8792
            15  C8x C    16.1900  -15.1715
            16  C8x C    15.7603  -16.4953
            17  C8x C    16.7004  -17.5386
            18  C1b C    21.5242  -17.9234
            19  C1a C    22.7405  -17.2212
            20  C5a C    20.5683  -14.7295
            21  C5a C    21.9931  -14.6764
            22  N1a N    22.6804  -13.5216
            23  O5a O    19.8678  -13.5135
            24  O5a O    22.6990  -15.9689
            25  O2a O    17.9936  -13.5544
            26  C1b C    17.0265  -12.5610
            27  C6a C    15.6656  -12.9205
            28  O6a O    14.7009  -11.9494
            29  O6a O    15.2918  -14.2951 #-
BOND        30
            1     2   3 1
            2     2   4 1
            3     3   5 2
            4     5   6 1
            5     6   7 2
            6     7   8 1
            7     8   9 2
            8     3   9 1
            9     4  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 1
            13    4  13 1
            14   12  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   13  17 2
            19   10  18 1
            20   18  19 1
            21   11  20 1
            22   20  21 1
            23   21  22 1
            24   20  23 2
            25   21  24 2
            26   14  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 2
            30   27  29 1

» Japanese version   » Back

DBGET integrated database retrieval system