| Entry |
|
|---|
| Name |
Pamicogrel (JAN/INN) |
|---|
| Formula |
C25H24N2O4S
|
|---|
| Exact mass |
448.1457
|
|---|
| Mol weight |
448.54
|
|---|
| Structure |
|
|---|
| Efficacy |
Platelet aggregation inhibitor, COX inhibitor |
|---|
| Target |
|
|---|
| Structure map |
| map07112 | 1,2-Diphenyl substitution family |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D01090 Pamicogrel (JAN/INN)
PTGS2 (COX2)
D01090 Pamicogrel (JAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8x C 13.0200 -7.9100
2 C8y C 13.0200 -9.3100
3 C8x C 14.2100 -10.0100
4 C8x C 15.4000 -9.3100
5 C8y C 15.4000 -7.9100
6 C8x C 14.2100 -7.2100
7 C8y C 13.0200 -3.5000
8 C8x C 13.0200 -4.9000
9 C8x C 14.2100 -5.6000
10 C8y C 15.4000 -4.9000
11 C8x C 15.4000 -3.5000
12 C8x C 14.2100 -2.8000
13 C8y C 18.6900 -6.4400
14 C8y C 20.0900 -6.4400
15 N4y N 20.9300 -7.5600
16 C8x C 22.2600 -7.1400
17 C8x C 22.2600 -5.7400
18 C8x C 20.9300 -5.3200
19 S2x S 17.9200 -5.2500
20 C8y C 16.5200 -5.7400
21 C8y C 16.5200 -7.1400
22 N5x N 17.9200 -7.5600
23 O2a O 11.7600 -2.8000
24 C1a C 10.5700 -3.5000
25 O2a O 11.7600 -10.0100
26 C1a C 10.5700 -9.3100
27 C1b C 20.9300 -8.9600
28 C7a C 22.1200 -9.6600
29 O6a O 22.1200 -11.0600
30 O7a O 23.3100 -8.9600
31 C1b C 24.5700 -9.7300
32 C1a C 25.7600 -9.0300
BOND 35
1 14 15 1
2 15 16 1
3 16 17 2
4 17 18 1
5 18 14 2
6 5 6 2
7 7 8 2
8 8 9 1
9 9 10 2
10 13 19 1
11 19 20 1
12 20 21 2
13 21 22 1
14 22 13 2
15 20 10 1
16 21 5 1
17 10 11 1
18 7 23 1
19 11 12 2
20 23 24 1
21 12 7 1
22 2 25 1
23 6 1 1
24 25 26 1
25 15 27 1
26 13 14 1
27 27 28 1
28 1 2 2
29 28 29 2
30 2 3 1
31 28 30 1
32 3 4 2
33 30 31 1
34 4 5 1
35 31 32 1
|
|---|
