| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
|---|
| Ligand | BDBM50366046 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_807742 (CHEMBL1959870) |
|---|
| Ki | 4570±n/a nM |
|---|
| Citation |  Moeker, J; Teruya, K; Rossit, S; Wilkinson, BL; Lopez, M; Bornaghi, LF; Innocenti, A; Supuran, CT; Poulsen, SA Design and synthesis of thiourea compounds that inhibit transmembrane anchored carbonic anhydrases. Bioorg Med Chem20:2392-404 (2012) [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
|
|
|
|---|
| BDBM50366046 |
|---|
| n/a |
|---|
| Name | BDBM50366046 |
|---|
| Synonyms: | CHEMBL1956752 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C34H45N3O19S2 |
|---|
| Mol. Mass. | 863.86 |
|---|
| SMILES | CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| |
|---|
| Structure | 
|
|---|
Search and Browse
