| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Carbonic anhydrase 4 |
|---|
| Ligand | BDBM50515853 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1862729 (CHEMBL4363585) |
|---|
| Ki | 0.310000±n/a nM |
|---|
| Citation |  Kalinin, S; Nocentini, A; Kovalenko, A; Sharoyko, V; Bonardi, A; Angeli, A; Gratteri, P; Tennikova, TB; Supuran, CT; Krasavin, M From random to rational: A discovery approach to selective subnanomolar inhibitors of human carbonic anhydrase IV based on the Castagnoli-Cushman multicomponent reaction. Eur J Med Chem182:0 (2019) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Carbonic anhydrase 4 |
|---|
| Name: | Carbonic anhydrase 4 |
|---|
| Synonyms: | CA-IV | CA4 | CAH4_HUMAN | Carbonate dehydratase IV | Carbonic anhydrase | Carbonic anhydrase 4 (CA IV) | Carbonic anhydrase IV (CA IV) |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 35037.98 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P22748 |
|---|
| Residue: | 312 |
|---|
| Sequence: | MRMLLALLALSAARPSASAESHWCYEVQAESSNYPCLVPVKWGGNCQKDRQSPINIVTTK
AKVDKKLGRFFFSGYDKKQTWTVQNNGHSVMMLLENKASISGGGLPAPYQAKQLHLHWSD
LPYKGSEHSLDGEHFAMEMHIVHEKEKGTSRNVKEAQDPEDEIAVLAFLVEAGTQVNEGF
QPLVEALSNIPKPEMSTTMAESSLLDLLPKEEKLRHYFRYLGSLTTPTCDEKVVWTVFRE
PIQLHREQILAFSQKLYYDKEQTVSMKDNVRPLQQLGQRTVIKSGAPGRPLPWALPALLG
PMLACLLAGFLR
|
|
|
|---|
| BDBM50515853 |
|---|
| n/a |
|---|
| Name | BDBM50515853 |
|---|
| Synonyms: | CHEMBL4573177 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C20H20ClN3O6S |
|---|
| Mol. Mass. | 465.907 |
|---|
| SMILES | NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCC(O)=O)c1ccc(Cl)cc1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
