Reaction Details Report a problem with these data
Target
Carbonic anhydrase 9
Ligand
BDBM50334354
Substrate
n/a
Meas. Tech.
ChEMBL_1973885 (CHEMBL4606703)
Ki
45±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:
Homo sapiens (Human)
Description:
Catalytic domain of human cloned isozyme was used in the assay
Residue:
459
Sequence:
MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPLGEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPGDPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFPAGVDSSPRAAEPVQLNSCLAAGDILALVFGLLFAVTSVAFLVQMRRQHRRGTKGGVSYRPAEVAETGA
  
Inhibitor
Name:
BDBM50334354
Synonyms:
4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4-{[(4'-Fluorophenyl)carbamoyl]amino}benzenesulfonamide | 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide | CHEMBL1615281
Type:
Small organic molecule
Emp. Form.:
C13H12FN3O3S
Mol. Mass.:
309.316
SMILES:
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: