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Target
Carbonic anhydrase 9
Ligand
BDBM50261601
Substrate
n/a
Meas. Tech.
ChEMBL_531443 (CHEMBL967624)
Ki
24±n/a nM
Citation
 Thiry, A; Supuran, CT; Masereel, B; Dogné, JM Recent developments of carbonic anhydrase inhibitors as potential anticancer drugs. J Med Chem 51:3051-6 (2008) [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:
BDBM50261601
Synonyms:
(4-sulfamoylphenylethylthioureido)fluorescein | CHEMBL501130
Type:
Small organic molecule
Emp. Form.:
C29H23N3O8S
Mol. Mass.:
573.573
SMILES:
NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(17.27,-5.01,;15.95,-5.79,;16.73,-7.12,;15.17,-4.46,;14.62,-6.57,;14.63,-8.11,;13.31,-8.89,;11.97,-8.12,;10.64,-8.9,;9.3,-8.14,;7.98,-8.92,;6.64,-8.16,;6.63,-6.62,;5.31,-8.94,;5.32,-10.48,;3.98,-11.26,;4,-12.8,;5.33,-13.56,;6.66,-12.78,;6.66,-11.24,;8.2,-12.78,;8.97,-14.1,;8.97,-11.45,;5.34,-15.09,;4.01,-15.86,;2.68,-15.1,;1.35,-15.87,;1.35,-17.41,;.01,-18.18,;2.68,-18.18,;4.02,-17.4,;5.35,-18.17,;6.68,-17.4,;8.03,-18.16,;9.36,-17.38,;10.7,-18.14,;9.35,-15.82,;8.01,-15.07,;6.68,-15.85,;11.95,-6.59,;13.28,-5.81,)|
Structure:
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