Reaction Details Report a problem with these data
Target
Carbonic anhydrase 9
Ligand
BDBM50504914
Substrate
n/a
Meas. Tech.
ChEMBL_1816918 (CHEMBL4316492)
Kd
0.010000±n/a nM
Citation
 Zak?auskas, A; ?apkauskait?, E; Jezep?ikas, L; Linkuvien?, V; Paketuryt?, V; Smirnov, A; Leitans, J; Kazaks, A; Dvinskis, E; Manakova, E; Gra?ulis, S; Tars, K; Matulis, D Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur J Med Chem 185:0 (2020) [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:
BDBM50504914
Synonyms:
CHEMBL4558287
Type:
Small organic molecule
Emp. Form.:
C16H23ClN2O6S2
Mol. Mass.:
438.947
SMILES:
NS(=O)(=O)c1cc(C(=O)NCCCO)c(cc1Cl)S(=O)(=O)C1CCCCC1
Structure:
Search PDB for entries with ligand similarity: