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Target
Carbonic anhydrase 9
Ligand
BDBM50556081
Substrate
n/a
Meas. Tech.
ChEMBL_2054803 (CHEMBL4709804)
Ki
5.5±n/a nM
Citation
 Alkhaldi, AAM; Al-Sanea, MM; Nocentini, A; Eldehna, WM; Elsayed, ZM; Bonardi, A; Abo-Ashour, MF; El-Damasy, AK; Abdel-Maksoud, MS; Al-Warhi, T; Gratteri, P; Abdel-Aziz, HA; Supuran, CT; El-Haggar, R 3-Methylthiazolo[3,2-a]benzimidazole-benzenesulfonamide conjugates as novel carbonic anhydrase inhibitors endowed with anticancer activity: Design, synthesis, biological and molecular modeling studies. Eur J Med Chem 207:0 (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:
BDBM50556081
Synonyms:
CHEMBL4789539
Type:
Small organic molecule
Emp. Form.:
C19H17N5O3S2
Mol. Mass.:
427.5
SMILES:
C\C(=N/NC(=O)c1ccc(cc1)S(N)(=O)=O)c1sc2nc3ccccc3n2c1C
Structure:
Search PDB for entries with ligand similarity: