Reaction Details Report a problem with these data
Target
Carbonic anhydrase 9
Ligand
BDBM50240178
Substrate
n/a
Meas. Tech.
ChEMBL_1667779 (CHEMBL4017667)
Ki
3.7±n/a nM
Citation
 Carta, F; Vullo, D; Osman, SM; AlOthman, Z; Supuran, CT Synthesis and carbonic anhydrase inhibition of a series of SLC-0111 analogs. Bioorg Med Chem 25:2569-2576 (2017) [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:
BDBM50240178
Synonyms:
CHEMBL4090086 | US9962398, Compound MST-142
Type:
Small organic molecule
Emp. Form.:
C13H11F2N3O3S
Mol. Mass.:
327.307
SMILES:
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1
Structure:
Search PDB for entries with ligand similarity: