Target
Carbonic anhydrase 2
Ligand
BDBM11638
Substrate
n/a
Meas. Tech.
ChEMBL_588928 (CHEMBL1063843)
Ki
266±n/a nM
Citation
 Carta, FMaresca, ACovarrubias, ASMowbray, SLJones, TASupuran, CT Carbonic anhydrase inhibitors. Characterization and inhibition studies of the most active beta-carbonic anhydrase from Mycobacterium tuberculosis, Rv3588c. Bioorg Med Chem Lett 19:6649-54 (2009) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 2
Synonyms:
β-Carbonic anhydrase 2 (CA 2) | Carbonic anhydrase | MTCA2_MYCTU | canB | cynT | mtcA2
Type:
Enzyme
Mol. Mass.:
21788.97
Organism:
Mycobacterium tuberculosis
Description:
P9WPJ9
Residue:
207
Sequence:
MPNTNPVAAWKALKEGNERFVAGRPQHPSQSVDHRAGLAAGQKPTAVIFGCADSRVAAEIIFDQGLGDMFVVRTAGHVIDSAVLGSIEYAVTVLNVPLIVVLGHDSCGAVNAALAAINDGTLPGGYVRDVVERVAPSVLLGRRDGLSRVDEFEQRHVHETVAILMARSSAISERIAGGSLAIVGVTYQLDDGRAVLRDHIGNIGEEV
  
Inhibitor
Name:
BDBM11638
Synonyms:
CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide | SULPIRIDE,(+) | SULPIRIDE,(-) | Sulpiride | Sulpiride, SLP | Sulpiride-R | US10172837, Sulpiride
Type:
Small organic molecule
Emp. Form.:
C15H23N3O4S
Mol. Mass.:
341.426
SMILES:
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: