| Entry |
|
|---|
| Name |
Reparixin (USAN/INN) |
|---|
| Formula |
C14H21NO3S
|
|---|
| Exact mass |
283.1242
|
|---|
| Mol weight |
283.39
|
|---|
| Structure |
|
|---|
| Efficacy |
Antihypertensive |
|---|
| Comment |
Prevention of delayed graft function in solid organ transplant [CXCL inhibitor]
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Cytokine receptors
Chemokine receptors
CXCR1 (IL8RA, CD181)
D08984 Reparixin (USAN/INN)
CXCR2 (IL8RB, CD182)
D08984 Reparixin (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
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
|
|---|
