| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
|---|
| Ligand | BDBM12918 |
|---|
| Substrate/Competitor | BDBM10856 |
|---|
| Meas. Tech. | CA Inhibition Assay |
|---|
| pH | 7.5±n/a |
|---|
| Temperature | 298.15±n/a K |
|---|
| Ki | 5600±n/a nM |
|---|
| 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 |
|---|
| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
|---|
| |
| Carbonic anhydrase 1 |
|---|
| 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
|
|
|
|---|
| BDBM12918 |
|---|
| BDBM10856 |
|---|
| Name | BDBM12918 |
|---|
| Synonyms: | 4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-1H-1,2,3-triazole | CHEMBL387076 | Glycoconjugate Benzene Sulfonamide 2a | [(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(4-{[(4-sulfamoylphenyl)formamido]methyl}-1H-1,2,3-triazol-1-yl)oxan-2-yl]methyl acetate |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C24H29N5O12S |
|---|
| Mol. Mass. | 611.578 |
|---|
| SMILES | CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 |
|---|
| Structure | 
|
|---|
Search and Browse
