Reaction Details Report a problem with these data
Target
Carbonic anhydrase 9
Ligand
BDBM50022184
Substrate
n/a
Meas. Tech.
CA Inhibition Assay
pH
7.5±n/a
Temperature
277.15±n/a K
Ki
2.7e+2±n/a nM
Comments
extracted
Citation
 Sharma, A; Tiwari, M; Supuran, CT Novel coumarins and benzocoumarins acting as isoform-selective inhibitors against the tumor-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem 29:292-6 (2014) [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:
BDBM50022184
Synonyms:
7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-Dihydroxy-4-methyl-chromen-2-one | 7,8-dihydroxy-4-methyl-2H-chromen-2-one | 7,8-dihydroxy-4-methylcoumarin | CHEMBL276618
Type:
Small organic molecule
Emp. Form.:
C10H8O4
Mol. Mass.:
192.1681
SMILES:
Cc1cc(=O)oc2c(O)c(O)ccc12
Structure:
Search PDB for entries with ligand similarity: