Reaction Details
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Carbonic anhydrase 9
Ligand
BDBM50031589
Substrate
n/a
Meas. Tech.
ChEMBL_1441656 (CHEMBL3377633)
Kd
<5.0±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; Bakšyte, S; Kasiliauskaite, A; Jachno, J; Revuckiene, J; Kišonaite, M; Pilipuityte, V; Ivanauskaite, E; Milinaviciute, G; Smirnovas, V; Petrikaite, V; Kairys, V; Petrauskas, V; Norvaišas, P; Linge, D; Gibieža, P; Capkauskaite, E; Zakšauskas, A; Kazlauskas, E; Manakova, E; Gražulis, 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 | Carbonic anhydrase IX (CAIX) | Carbonate dehydratase IX | Carbonic anhydrase 9 (CA IX) | Membrane antigen MN | Carbonic anhydrase IX (CA IX) | Carbonic anhydrase 9 precursor | Carbonic anhydrase 9 (CAIX) | RCC-associated antigen G250 | CAH9_HUMAN | CA9 | G250 | MN | Carbonic anhydrases; II & IX | Carbonic anhydrases IX
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:
BDBM50031589
Synonyms:
CHEMBL3359179
Type:
Small organic molecule
Emp. Form.:
C16H23F3N2O3S2
Mol. Mass.:
412.11
SMILES:
C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F
Structure:
