Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM12942 |
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Substrate/Competitor | BDBM10856 |
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Meas. Tech. | CA Inhibition Assay |
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Ki | 10400±n/a nM |
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Citation | Wilkinson, BL; Bornaghi, LF; Houston, TA; Innocenti, A; Supuran, CT; Poulsen, SA A novel class of carbonic anhydrase inhibitors: glycoconjugate benzene sulfonamides prepared by "click-tailing". J Med Chem49:6539-48 (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 1 |
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Name: | Carbonic anhydrase 1 |
Synonyms: | CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA |
Type: | Enzyme |
Mol. Mass.: | 28873.37 |
Organism: | Homo sapiens (Human) |
Description: | P00915 |
Residue: | 261 |
Sequence: | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
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BDBM12942 |
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BDBM10856 |
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Name | BDBM12942 |
Synonyms: | (2R,3R,4S,5R,6S)-4,5-bis(acetyloxy)-6-methoxy-2-[(4-{[(4-sulfamoylphenyl)formamido]methyl}-1H-1,2,3-triazol-1-yl)methyl]oxan-3-yl acetate | CHEMBL217304 | Glycoconjugate Benzene Sulfonamide 2g | Methyl 2,3,4-tri-O-acetyl-6-[4-({[aminosulfonyl)benzoyl]-amino}methyl)-1H-1,2,3-triazol-1-yl]-6-deoxy-alpha-D-glucopyranoside |
Type | Small organic molecule |
Emp. Form. | C23H29N5O11S |
Mol. Mass. | 583.568 |
SMILES | CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
Structure |
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