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TargetCarbonic anhydrase 1
LigandBDBM12920
Substrate/Competitorn/a
Meas. Tech.ChEMBL_625070
Ki 2300±n/a nM
Citation Lopez MBornaghi LFInnocenti AVullo DCharman SASupuran CTPoulsen SA Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases. J Med Chem 53:2913-26 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase 1
Name:Carbonic anhydrase
Synonyms:CA-I | CAB | Carbonate dehydratase I | 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 (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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  Blast E-value cutoff:
BDBM12920
n/a
NameBDBM12920
Synonyms:4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-1H-1,2,3-triazole | CHEMBL383897 | Glycoconjugate Benzene Sulfonamide 3a | {1-[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]-1H-1,2,3-triazol-4-yl}methyl 4-sulfamoylbenzoate
TypeSmall organic molecule
Emp. Form.C24H28N4O13S
Mol. Mass.612.563
SMILESCC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Structure
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