Reaction Details Report a problem with these data
Target
Carbonic anhydrase 9
Ligand
BDBM50500684
Substrate
n/a
Meas. Tech.
ChEMBL_1549338 (CHEMBL3755044)
Ki
26±n/a nM
Citation
 Villalba, ML; Palestro, P; Ceruso, M; Gonzalez Funes, JL; Talevi, A; Bruno Blanch, L; Supuran, CT; Gavernet, L Sulfamide derivatives with selective carbonic anhydrase VII inhibitory action. Bioorg Med Chem 24:894-901 (2016) [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:
BDBM50500684
Synonyms:
CHEMBL3752046
Type:
Small organic molecule
Emp. Form.:
C13H19FN2O4S
Mol. Mass.:
318.364
SMILES:
COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity: