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Target
Carbonic anhydrase 9
Ligand
BDBM50540617
Substrate
n/a
Meas. Tech.
ChEMBL_1982505 (CHEMBL4615767)
Ki
36±n/a nM
Citation
 Pratesi, D; Matassini, C; Goti, A; Angeli, A; Carta, F; Supuran, CT; Spanevello, R; Cardona, F Glycomimetic Based Approach toward Selective Carbonic Anhydrase Inhibitors. ACS Med Chem Lett 11:727-731 (2020) [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:
BDBM50540617
Synonyms:
CHEMBL4649348
Type:
Small organic molecule
Emp. Form.:
C29H44N6O9S
Mol. Mass.:
652.759
SMILES:
[H][C@]12CO[C@@]([H])(O1)[C@@H](O)[C@@]([H])([C@@H]2O)[C@@]1([H])[C@@H](O)[C@]2([H])OC(C)(C)O[C@]2([H])CN1CCCCCCn1cc(CNc2ccc(cc2)S(N)(=O)=O)nn1 |r|
Structure:
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