| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
|---|
| Ligand | BDBM50023597 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1454277 (CHEMBL3363827) |
|---|
| Ki | 8690±n/a nM |
|---|
| Citation |  Riafrecha, LE; Rodríguez, OM; Vullo, D; Supuran, CT; Colinas, PA Attachment of carbohydrates to methoxyaryl moieties leads to highly selective inhibitors of the cancer associated carbonic anhydrase isoforms IX and XII. Bioorg Med Chem22:5308-14 (2014) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, 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
|
|
|
|---|
| BDBM50023597 |
|---|
| n/a |
|---|
| Name | BDBM50023597 |
|---|
| Synonyms: | CHEMBL3329924 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C25H30O11 |
|---|
| Mol. Mass. | 506.4991 |
|---|
| SMILES | COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
