Reaction Details |
| Report a problem with these data |
Target | Carbonic anhydrase 1 |
---|
Ligand | BDBM50494691 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1279536 (CHEMBL3097255) |
---|
Ki | 83±n/a nM |
---|
Citation | Carroux, CJ; Rankin, GM; Moeker, J; Bornaghi, LF; Katneni, K; Morizzi, J; Charman, SA; Vullo, D; Supuran, CT; Poulsen, SA A prodrug approach toward cancer-related carbonic anhydrase inhibition. J Med Chem56:9623-34 (2013) [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
|
|
|
BDBM50494691 |
---|
n/a |
---|
Name | BDBM50494691 |
Synonyms: | CHEMBL3092812 |
Type | Small organic molecule |
Emp. Form. | C30H42N4O11S |
Mol. Mass. | 666.74 |
SMILES | CCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O |r| |
Structure |
|