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Target
Carbonic anhydrase 9
Ligand
BDBM50165744
Substrate
n/a
Meas. Tech.
ChEMBL_302319 (CHEMBL828907)
Ki
9800.0±n/a nM
Citation
 Almajan, GL; Innocenti, A; Puccetti, L; Manole, G; Barbuceanu, S; Saramet, I; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors. Inhibition of the cytosolic and tumor-associated carbonic anhydrase isozymes I, II, and IX with a series of 1,3,4-thiadiazole- and 1,2,4-triazole-thiols. Bioorg Med Chem Lett 15:2347-52 (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:
BDBM50165744
Synonyms:
3-(4-(4-chlorophenylsulfonyl)phenyl)-4-propyl-1H-1,2,4-triazole-5(4H)-thione | 5-[4-(4-Chloro-benzenesulfonyl)-phenyl]-4-propyl-4H-[1,2,4]triazole-3-thiol | CHEMBL196544
Type:
Small organic molecule
Emp. Form.:
C17H16ClN3O2S2
Mol. Mass.:
393.911
SMILES:
CCCn1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
Structure:
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