Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM11394
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
IC50
15.2±n/a nM
Citation
 Chen, HH; Gross, S; Liao, J; McLaughlin, M; Dean, T; Sly, WS; May, JA 2H-Thieno[3,2-e]- and [2,3-e]-1,2-thiazine-6-sulfonamide 1,1-dioxides as ocular hypotensive agents: synthesis, carbonic anhydrase inhibition and evaluation in the rabbit. Bioorg Med Chem 8:957-75 (2000) [PubMed]  Article 
Target
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:
MRMLLALLALSAARPSASAESHWCYEVQAESSNYPCLVPVKWGGNCQKDRQSPINIVTTKAKVDKKLGRFFFSGYDKKQTWTVQNNGHSVMMLLENKASISGGGLPAPYQAKQLHLHWSDLPYKGSEHSLDGEHFAMEMHIVHEKEKGTSRNVKEAQDPEDEIAVLAFLVEAGTQVNEGFQPLVEALSNIPKPEMSTTMAESSLLDLLPKEEKLRHYFRYLGSLTTPTCDEKVVWTVFREPIQLHREQILAFSQKLYYDKEQTVSMKDNVRPLQQLGQRTVIKSGAPGRPLPWALPALLGPMLACLLAGFLR
  
Inhibitor
Name:
BDBM11394
Synonyms:
2-[2-(4-Morpholinyl)ethyl]-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide hydrochloride | 2-[2-(morpholin-4-yl)ethyl]-1,1-dioxo-2H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide hydrochloride | 2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide 2 | Compound 5b
Type:
Small organic molecule
Emp. Form.:
C12H17N3O5S3
Mol. Mass.:
379.475
SMILES:
NS(=O)(=O)c1cc2C=CN(CCN3CCOCC3)S(=O)(=O)c2s1 |c:7|
Structure:
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Substrate
Name:
BDBM10856
Synonyms:
Carbon Dioxide | methanedione
Type:
Small organic molecule
Emp. Form.:
CO2
Mol. Mass.:
44.0095
SMILES:
O=C=O
Structure:
Search PDB for entries with ligand similarity: