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Target
Carbonic anhydrase 9
Ligand
BDBM50568586
Substrate
n/a
Meas. Tech.
ChEMBL_2105994 (CHEMBL4814669)
IC50
38±n/a nM
Citation
 Patel, OPS; Jesumoroti, OJ; Legoabe, LJ; Beteck, RM Metronidazole-conjugates: A comprehensive review of recent developments towards synthesis and medicinal perspective. Eur J Med Chem 210:0 (2021) [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:
BDBM50568586
Synonyms:
CHEMBL4859439
Type:
Small organic molecule
Emp. Form.:
C22H20N6O5S2
Mol. Mass.:
512.561
SMILES:
Cc1ncc(n1CCOc1cccc(\C=N/c2ccc(cc2)S(=O)(=O)Nc2nccs2)c1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: