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Target
Carbonic anhydrase 9
Ligand
BDBM50167366
Substrate
n/a
Meas. Tech.
ChEMBL_308635 (CHEMBL834888)
Ki
84±n/a nM
Citation
 Winum, JY; Cecchi, A; Montero, JL; Innocenti, A; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors. Synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with boron-containing sulfonamides, sulfamides, and sulfamates: toward agents for boron neutron capture therapy of hypoxic tumors. Bioorg Med Chem Lett 15:3302-6 (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:
BDBM50167366
Synonyms:
4-{4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino(thioxo)methylamino]phenylsulfonamido}-1-benzenesulfonamide | CHEMBL364903
Type:
Small organic molecule
Emp. Form.:
C25H29BN4O6S3
Mol. Mass.:
588.527
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(NC(=S)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Structure:
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