2026-08-01_00000201|ligand|30XX

Crystal structure of hCA II in complex with an 1-Aryl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide inhibitor; X-ray diffraction 1.15Å
Protein #1 262 residues (99% resolved)

MGMSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK

MGMSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2 A1J8Y

InChI=1S/C17H19FN2O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3,(H2,19,21,22)/t17-/m0/s1

COc1cc2c(cc1OC)[C@@H](N(CC2)S(=O)(=O)N)c3ccc(cc3)F
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference