Reaction Details
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Carbonic anhydrase 14
Ligand
BDBM50031587
Substrate
n/a
Meas. Tech.
ChEMBL_1441646 (CHEMBL3377092)
Kd
4300±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 14
Synonyms:
CA-XIV | CA14 | CAH14_HUMAN | Carbonate dehydratase XIV | Carbonic Anhydrase XIV | Carbonic anhydrase | Carbonic anhydrase 14 | Carbonic anhydrase 14 (CA XIV) | Carbonic anhydrase XIV (CA XIV)
Type:
Enzyme
Mol. Mass.:
37665.67
Organism:
Homo sapiens (Human)
Description:
Human (cloned) isozyme.
Residue:
337
Sequence:
MLFSALLLEVIWILAADGGQHWTYEGPHGQDHWPASYPECGNNAQSPIDIQTDSVTFDPDLPALQPHGYDQPGTEPLDLHNNGHTVQLSLPSTLYLGGLPRKYVAAQLHLHWGQKGSPGGSEHQINSEATFAELHIVHYDSDSYDSLSEAAERPQGLAVLGILIEVGETKNIAYEHILSHLHEVRHKDQKTSVPPFNLRELLPKQLGQYFRYNGSLTTPPCYQSVLWTVFYRRSQISMEQLEKLQGTLFSTEEEPSKLLVQNYRALQPLNQRMVFASFIQAGSSYTTGEMLSLGVGILVGCLCLLLAVYFIARKIRKKRLENRKSVVFTSAQATTEA
Inhibitor
Name:
BDBM50031587
Synonyms:
CHEMBL3359180
Type:
Small organic molecule
Emp. Form.:
C26H35F3N2O2S2
Mol. Mass.:
528.694
SMILES:
NS(=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1NC1CCCCCCCCCCC1
Structure:
