Reaction Details Report a problem with these data
Target
Carbonic anhydrase 9
Ligand
BDBM11640
Substrate
n/a
Meas. Tech.
ChEMBL_302827 (CHEMBL838617)
Ki
15±n/a nM
Citation
 Di Fiore, A; De Simone, G; Menchise, V; Pedone, C; Casini, A; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: X-ray crystal structure of a benzenesulfonamide strong CA II and CA IX inhibitor bearing a pentafluorophenylaminothioureido tail in complex with isozyme II. Bioorg Med Chem Lett 15:1937-42 (2005) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 9
Synonyms:
CA-IX | CA9 | CAH9_HUMAN | Carbonate dehydratase IX | Carbonic anhydrase 9 (CA IX) | Carbonic anhydrase 9 (CAIX) | Carbonic anhydrase 9 precursor | Carbonic anhydrase IX (CA IX) | Carbonic anhydrase IX (CAIX) | Carbonic anhydrases IX | Carbonic anhydrases; II & IX | G250 | MN | Membrane antigen MN | RCC-associated antigen G250
Type:
Enzyme
Mol. Mass.:
49669.03
Organism:
Homo sapiens (Human)
Description:
Catalytic domain of human cloned isozyme was used in the assay
Residue:
459
Sequence:
MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPLGEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPGDPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFPAGVDSSPRAAEPVQLNSCLAAGDILALVFGLLFAVTSVAFLVQMRRQHRRGTKGGVSYRPAEVAETGA
  
Inhibitor
Name:
BDBM11640
Synonyms:
3-[(2,3,4,5,6-pentafluorophenyl)amino]-1-(4-sulfamoylphenyl)thiourea | CHEMBL361827 | Compound 9 | fluorine-containing thiourea 9
Type:
Small organic molecule
Emp. Form.:
C13H9F5N4O2S2
Mol. Mass.:
412.358
SMILES:
NS(=O)(=O)c1ccc(NC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
Structure:
Search PDB for entries with ligand similarity: