Entry |
|
Name |
Varespladib sodium (USAN) |
Formula |
C21H19N2O5. Na
|
Exact mass |
402.1192
|
Mol weight |
402.37
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Anti-inflammatory, Secretory phospholipase A2 inhibitor |
Comment |
Treatment of sepsis
|
Target |
|
Pathway |
|
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)
|
Other DBs |
|
LinkDB |
|
KCF data |
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
|