Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM50314554 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_625070 (CHEMBL1112519) |
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Ki | 4100±n/a nM |
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Citation | Lopez, M; Bornaghi, LF; Innocenti, A; Vullo, D; Charman, SA; Supuran, CT; Poulsen, SA Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases. J Med Chem53:2913-26 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, 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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BDBM50314554 |
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n/a |
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Name | BDBM50314554 |
Synonyms: | CHEMBL1091780 | N-4-(Aminosulfonyl)phenethyl-S-(2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranosyl)sulfenamide |
Type | Small organic molecule |
Emp. Form. | C22H30N2O11S2 |
Mol. Mass. | 562.61 |
SMILES | CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r| |
Structure |
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