Reaction Details Report a problem with these data
Target
Carbonic anhydrase 9
Ligand
BDBM50011181
Substrate
n/a
Meas. Tech.
ChEMBL_303148 (CHEMBL829122)
Ki
2210000±n/a nM
Citation
Winum, JY; Innocenti, A; Gagnard, V; Montero, JL; Scozzafava, A; Vullo, D; Supuran, CT Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with organic phosphates and phosphonates. Bioorg Med Chem Lett 15:1683-6 (2005) [PubMed] Article
More Info.:
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:
BDBM50011181
Synonyms:
(PFA)dihydroxyphosphinecarboxylic acid oxide | CHEMBL666 | FOSCARNET | Forscarnet | Foscarnet (PFA) | Foscavir | Phosphono-formic acid(PFA) | Phosphonoformate | dihydroxyphosphinecarboxylic acid oxide | dihydroxyphosphinecarboxylic acid oxide(PFA) | phosphonoformic acid(PFA)
Type:
Small organic molecule
Emp. Form.:
CH3O5P
Mol. Mass.:
126.0053
SMILES:
OC(=O)P(O)(O)=O