Reaction Details Report a problem with these data
Target
Carbonic anhydrase 9
Ligand
BDBM50165757
Substrate
n/a
Meas. Tech.
ChEMBL_302321 (CHEMBL828908)
Ki
5.6±n/a nM
Citation
 Puccetti, L; Fasolis, G; Cecchi, A; Winum, JY; Gamberi, A; Montero, JL; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides incorporating thioureido-sulfanilyl scaffolds. Bioorg Med Chem Lett 15:2359-64 (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:
BDBM50165757
Synonyms:
4-{4-[2-(1,4-oxazinan-4-yl)ethylamino(thioxo)methylamino]phenylsulfonamido}-1-benzenesulfonamide | CHEMBL362989
Type:
Small organic molecule
Emp. Form.:
C19H25N5O5S3
Mol. Mass.:
499.627
SMILES:
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: