| Entry |
|
|---|
| Name |
Iofolastat I 123 (USAN);
Trofex (TN) |
|---|
| Formula |
C19H26IN3O7
|
|---|
| Exact mass |
531.0827
|
|---|
| Mol weight |
535.33
|
|---|
| Structure |
|
|---|
| Efficacy |
Diagnostic |
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Metallo peptidases
Family M28
FOLH1 (PSMA)
D10070 Iofolastat I 123 (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
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|---|
| KCF data |
ATOM 30
1 C8x C 9.8700 -19.3200
2 C8y C 9.8700 -20.7200
3 C8x C 11.0824 -21.4200
4 C8x C 12.2949 -20.7200
5 C8y C 12.2949 -19.3200
6 C8x C 11.0824 -18.6200
7 X I 8.6576 -21.4200
8 C1b C 13.5260 -18.6090
9 N1b N 14.7312 -19.3047
10 C1b C 15.9135 -18.6219
11 C1b C 17.1075 -19.3112
12 C1b C 18.2954 -18.6252
13 C1b C 19.4865 -19.3129
14 C1c C 20.6759 -18.6261
15 N1b N 21.8662 -19.3134
16 C6a C 20.6760 -17.2202
17 C5a C 23.0561 -18.6263
18 O6a O 21.8689 -16.5314
19 O6a O 19.4441 -16.5088
20 N1b N 24.2462 -19.3135
21 O5a O 23.0561 -17.2202
22 C1c C 25.4361 -18.6264
23 C1b C 26.6262 -19.3135
24 C6a C 25.4362 -17.2202
25 O6a O 26.6290 -16.5314
26 O6a O 24.2041 -16.5087
27 C1b C 27.8161 -18.6264
28 C6a C 29.0062 -19.3135
29 O6a O 30.1961 -18.6264
30 O6a O 29.0063 -20.7198
BOND 30
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 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 14 16 1 #Up
17 15 17 1
18 16 18 2
19 16 19 1
20 17 20 1
21 17 21 2
22 20 22 1
23 22 23 1
24 22 24 1 #Down
25 24 25 2
26 24 26 1
27 23 27 1
28 27 28 1
29 28 29 1
30 28 30 2
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|---|
