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Target
Carbonic anhydrase 9
Ligand
BDBM50146462
Substrate
n/a
Meas. Tech.
ChEMBL_796749 (CHEMBL1938064)
Ki
>100000±n/a nM
Citation
 Carta, F; Maresca, A; Scozzafava, A; Supuran, CT 5- and 6-membered (thio)lactones are prodrug type carbonic anhydrase inhibitors. Bioorg Med Chem Lett 22:267-70 (2011) [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:
BDBM50146462
Synonyms:
(2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid | (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid (7) | (E)-2-hydroxycinnamic acid | (E)-3-(2-hydroxyphenyl)-2-propenoic acid | (E)-o-hydroxycinnamic acid | CHEMBL52564 | o-Hydroxycinnamic acid (o-HCA) | o-hydroxy-trans-cinnamic acid | trans-2-coumaric acid | trans-o-hydroxycinnamic acid
Type:
Small organic molecule
Emp. Form.:
C9H8O3
Mol. Mass.:
164.158
SMILES:
OC(=O)\C=C\c1ccccc1O
Structure:
Search PDB for entries with ligand similarity: