Reaction Details Report a problem with these data
Target
Carbonic anhydrase 9
Ligand
BDBM50538718
Substrate
n/a
Meas. Tech.
ChEMBL_1973885 (CHEMBL4606703)
Ki
2.2±n/a nM
Citation
 Mancuso, F; Di Fiore, A; De Luca, L; Angeli, A; Monti, SM; De Simone, G; Supuran, CT; Gitto, R Looking toward the Rim of the Active Site Cavity of Druggable Human Carbonic Anhydrase Isoforms. ACS Med Chem Lett 11:1000-1005 (2020) [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:
Human
Description:
Catalytic domain of human cloned isozyme was used in the assay
Residue:
459
Sequence:
MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPLGEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPGDPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFPAGVDSSPRAAEPVQLNSCLAAGDILALVFGLLFAVTSVAFLVQMRRQHRRGTKGGVSYRPAEVAETGA
  
Inhibitor
Name:
BDBM50538718
Synonyms:
CHEMBL4643664
Type:
Small organic molecule
Emp. Form.:
C18H18N4O6S
Mol. Mass.:
418.424
SMILES:
NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(c1)[N+]([O-])=O
Structure:
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