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Target
Carbonic anhydrase 9
Ligand
BDBM50454312
Substrate
n/a
Meas. Tech.
ChEMBL_1752591 (CHEMBL4187351)
Kd
0.020000±n/a nM
Citation
 ?apkauskait?, E; Zak?auskas, A; Ruibys, V; Linkuvien?, V; Paketuryt?, V; Gedgaudas, M; Kairys, V; Matulis, D Benzimidazole design, synthesis, and docking to build selective carbonic anhydrase VA inhibitors. Bioorg Med Chem 26:675-687 (2018) [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:
BDBM50454312
Synonyms:
CHEMBL4205449
Type:
Small organic molecule
Emp. Form.:
C20H21ClN4O3S2
Mol. Mass.:
464.989
SMILES:
NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl
Structure:
Search PDB for entries with ligand similarity: