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Target
Carbonic anhydrase 9
Ligand
BDBM50157949
Substrate
n/a
Meas. Tech.
ChEMBL_303516 (CHEMBL839630)
Ki
31±n/a nM
Citation
 Turkmen, H; Durgun, M; Yilmaztekin, S; Emul, M; Innocenti, A; Vullo, D; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors. Novel sulfanilamide/acetazolamide derivatives obtained by the tail approach and their interaction with the cytosolic isozymes I and II, and the tumor-associated isozyme IX. Bioorg Med Chem Lett 15:367-72 (2004) [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:
BDBM50157949
Synonyms:
2-(4-Methyl-piperazin-1-yl)-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-acetamide | 2-(4-methylpiperazin-1-yl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide | CHEMBL179897
Type:
Small organic molecule
Emp. Form.:
C9H16N6O3S2
Mol. Mass.:
320.392
SMILES:
CN1CCN(CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC1
Structure:
Search PDB for entries with ligand similarity: