Reaction Details |
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Target | Carbonic anhydrase 2 |
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Ligand | BDBM13057 |
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Substrate/Competitor | BDBM10856 |
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Meas. Tech. | CA Inhibition Assay |
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pH | 7.5±n/a |
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Temperature | 295.15±n/a K |
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Ki | 36±n/a nM |
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Citation | Winum, JY; Temperini, C; El Cheikh, K; Innocenti, A; Vullo, D; Ciattini, S; Montero, JL; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: clash with Ala65 as a means for designing inhibitors with low affinity for the ubiquitous isozyme II, exemplified by the crystal structure of the topiramate sulfamide analogue. J Med Chem49:7024-31 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Carbonic anhydrase 2 |
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Name: | Carbonic anhydrase 2 |
Synonyms: | CA-II | CA2 | CAC | CAH2_HUMAN | Carbonate dehydratase II | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase 2 (CA-II) | Carbonic anhydrase 2 (Recombinant CA II) | Carbonic anhydrase C | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II) | Carbonic anhydrase II (CAII) | Carbonic anhydrase II (hCA II) | Carbonic anhydrase isoenzyme II (hCA II) |
Type: | Enzyme |
Mol. Mass.: | 29250.71 |
Organism: | Homo sapiens (Human) |
Description: | P00918 |
Residue: | 260 |
Sequence: | MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRIL
NNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHL
VHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDP
RGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELM
VDNWRPAQPLKNRQIKASFK
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BDBM13057 |
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BDBM10856 |
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Name | BDBM13057 |
Synonyms: | CHEMBL417656 | Compound 9 | Cyclic Sulfate Analogue of Topiramate | RWJ-37947 | [(1S,2S,6R,9S)-11,11-dimethyl-4,4-dioxo-3,5,8,10,12-pentaoxa-4-thiatricyclo[7.3.0.0^{2,6}]dodecan-9-yl]methyl sulfamate | [(3aR,5aS,8aS,8bS)-7,7-dimethyl-2,2-dioxidotetrahydro-5aH-[1,3,2]dioxathiolo[4,5-d][1,3]dioxolo[4,5-b]pyran-5a-yl]methyl sulfamate |
Type | Small organic molecule |
Emp. Form. | C9H15NO10S2 |
Mol. Mass. | 361.346 |
SMILES | CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 |r| |
Structure |
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