Reaction Details Report a problem with these data
Target
Carbonic anhydrase 9
Ligand
BDBM50334361
Substrate
n/a
Meas. Tech.
ChEMBL_735541 (CHEMBL1693046)
Ki
0.50±n/a nM
Citation
 Pacchiano, F; Carta, F; McDonald, PC; Lou, Y; Vullo, D; Scozzafava, A; Dedhar, S; Supuran, CT Ureido-substituted benzenesulfonamides potently inhibit carbonic anhydrase IX and show antimetastatic activity in a model of breast cancer metastasis. J Med Chem 54:1896-902 (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:
BDBM50334361
Synonyms:
4-(3-(2-isopropylphenyl)ureido)benzenesulfonamide | 4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide | 4-{([(2'-Isopropylphenyl)amino]carbonyl)amino}benzenesulfonamide | CHEMBL1615280
Type:
Small organic molecule
Emp. Form.:
C16H19N3O3S
Mol. Mass.:
333.405
SMILES:
CC(C)c1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: