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Target
Carbonic anhydrase 9
Ligand
BDBM50221255
Substrate
n/a
Meas. Tech.
ChEMBL_449549 (CHEMBL899815)
Ki
3350±n/a nM
Citation
 Abdel-Hamid, MK; Abdel-Hafez, AA; El-Koussi, NA; Mahfouz, NM; Innocenti, A; Supuran, CT Design, synthesis, and docking studies of new 1,3,4-thiadiazole-2-thione derivatives with carbonic anhydrase inhibitory activity. Bioorg Med Chem 15:6975-84 (2007) [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:
BDBM50221255
Synonyms:
4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[alpha-(4-N,N-dimethylaminophenyl)methylene]semicarbazide | CHEMBL235485
Type:
Small organic molecule
Emp. Form.:
C12H14N6OS2
Mol. Mass.:
322.409
SMILES:
CN(C)c1ccccc1C=NNC(=O)Nc1nnc(S)s1 |w:10.11|
Structure:
Search PDB for entries with ligand similarity: