Reaction Details
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Leukotriene C4 synthase
Ligand
BDBM223287
Substrate
n/a
Meas. Tech.
ChEMBL_1876790 (CHEMBL4378184)
IC50
10.0±n/a nM
Citation
Munck Af Rosenschöld, M; Johannesson, P; Nikitidis, A; Tyrchan, C; Chang, HF; Rönn, R; Chapman, D; Ullah, V; Nikitidis, G; Glader, P; Käck, H; Bonn, B; Wågberg, F; Björkstrand, E; Andersson, U; Swedin, L; Rohman, M; Andreasson, T; Bergström, EL; Jiang, F; Zhou, XH; Lundqvist, AJ; Malmberg, A; Ek, M; Gordon, E; Pettersen, A; Ripa, L; Davis, AM Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1 J Med Chem 62:7769-7787 (2019) [PubMed] Article More Info.:
Target
Name:
Leukotriene C4 synthase
Synonyms:
LTC4 synthase | LTC4S | LTC4S_HUMAN | Leukotriene-C(4) synthase
Type:
PROTEIN
Mol. Mass.:
16575.59
Organism:
Homo sapiens (Human)
Description:
ChEMBL_961179
Residue:
150
Sequence:
MKDEVALLAAVTLLGVLLQAYFSLQVISARRAFRVSPPLTTGPPEFERVYRAQVNCSEYFPLFLATLWVAGIFFHEGAAALCGLVYLFARLRYFQGYARSAQLRLAPLYASARALWLLVALAALGLLAHFLPAALRAALLGRLRTLLPWA
Inhibitor
Name:
BDBM223287
Synonyms:
(1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic acid | US20160326143, 62 | US9657001, 62
Type:
Small Organic Molecule
Emp. Form.:
C20H19ClF3N3O4
Mol. Mass.:
457.831
SMILES:
COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F
Structure:
