Table 4.
Predicted inhibitory values for new sulfonamide derivatives disubstituted with proteinogenic amino acids possessing polar neutral and hydrophobic side chains.
| KI (nM) | Selectivity | ||||
|---|---|---|---|---|---|
| TSA Derivative | hCA I | hCA II | hCA IV | hCA IX | hCA II/IX |
| 2 Ala | 239.6 | 235.8 | 8629.1 | 8.4 | 28.0 |
| 4 Tyr | 376.0 | 6198.0 | 9998.5 | 192.9 | 32.1 |
| 5 Trp | 10085.9 | 6217.8 | 9837.2 | 2218.0 | 2.8 |
| 6 Asn | 8892.8 | 924.6 | 9930.3 | 720.1 | 1.3 |
| 7 Gln | 9996.2 | 4111.2 | 2328.9 | 29.6 | 139.1 |
| 8 Ser | 4711.8 | 250.8 | 10000.0 | 8.7 | 28.8 |
| 9 Thr | 7271.6 | 555.3 | 3099.5 | 13.1 | 42.3 |
TSA = triazinyl-aminobenzenesulfonamide; KI = inhibition constant; All derivatives contain a symmetric pair of given amino acid.