Reaction Details
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Carbonic anhydrase 9
Ligand
BDBM50429899
Substrate
n/a
Meas. Tech.
ChEMBL_1441641 (CHEMBL3377087)
Kd
32±n/a nM
Citation
Dudutiene, V; Matuliene, J; Smirnov, A; Timm, DD; Zubriene, A; Baranauskiene, L; Morkunaite, V; Smirnoviene, J; Michailoviene, V; Juozapaitiene, V; Mickeviciute, A; Kazokaite, J; Bak?yte, S; Kasiliauskaite, A; Jachno, J; Revuckiene, J; Ki?onaite, M; Pilipuityte, V; Ivanauskaite, E; Milinaviciute, G; Smirnovas, V; Petrikaite, V; Kairys, V; Petrauskas, V; Norvai?as, P; Linge, D; Gibie?a, P; Capkauskaite, E; Zak?auskas, A; Kazlauskas, E; Manakova, E; Gra?ulis, S; Ladbury, JE; Matulis, D Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J Med Chem 57:9435-46 (2014) [PubMed] Article More Info.:
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:
Human
Description:
Catalytic domain of human cloned isozyme was used in the assay
Residue:
459
Sequence:
MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPLGEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPGDPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFPAGVDSSPRAAEPVQLNSCLAAGDILALVFGLLFAVTSVAFLVQMRRQHRRGTKGGVSYRPAEVAETGA
Inhibitor
Name:
BDBM50429899
Synonyms:
CHEMBL2333416
Type:
Small organic molecule
Emp. Form.:
C8H7F4NO3S2
Mol. Mass.:
305.27
SMILES:
NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1F
Structure:
