Reaction Details
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Carbonic anhydrase 2
Ligand
BDBM50031589
Substrate
n/a
Meas. Tech.
ChEMBL_1441648 (CHEMBL3377094)
Kd
730±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 2
Synonyms:
CA-II | CA2 | CAC | CAH2_HUMAN | Carbonate dehydratase II | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase 2 (CA-II) | Carbonic anhydrase 2 (Recombinant CA II) | Carbonic anhydrase C | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II) | Carbonic anhydrase II (CAII) | Carbonic anhydrase II (hCA II) | Carbonic anhydrase isoenzyme II (hCA II)
Type:
Enzyme
Mol. Mass.:
29250.71
Organism:
Homo sapiens (Human)
Description:
P00918
Residue:
260
Sequence:
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Inhibitor
Name:
BDBM50031589
Synonyms:
CHEMBL3359179
Type:
Small organic molecule
Emp. Form.:
C16H23F3N2O3S2
Mol. Mass.:
412.491
SMILES:
NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1NC1CCCCCCC1
Structure:
