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Target
Carbonic anhydrase 9
Ligand
BDBM103914
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7.4±0
Temperature
298.15±0 K
IC50
189±0.0 nM
Citation
 Babich, JW; Zimmerman, C; Joyal, J; Maresca, KP; Marquis, J; Lu, G; Wang, J; Hillier, S Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof US Patent  US8562945 Publication Date 10/22/2013 
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:
BDBM103914
Synonyms:
US8562945, 249
Type:
Small organic molecule
Emp. Form.:
C23H32N5O4ReS2
Mol. Mass.:
692.868
SMILES:
NOOSc1ccc(NC(=S)NCCCCCCCC[N@@]23CC(=O)O[Re]2[N]2=C(C3)C=CC=C2)cc1 |r,c:27,31,33|
Structure:
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