Reaction Details Report a problem with these data
Target
5-lipoxygenase
Ligand
BDBM50038649
Substrate
n/a
Meas. Tech.
ChEMBL_830634 (CHEMBL2061527)
IC50
760±n/a nM
Citation
 Hansen, FK; Khankischpur, M; Tolaymat, I; Mesaros, R; Dannhardt, G; Geffken, D Efficient synthesis and 5-LOX/COX-inhibitory activity of some 3-hydroxybenzo[b]thiophene-2-carboxylic acid derivatives. Bioorg Med Chem Lett 22:5031-4 (2012) [PubMed]  Article 
Target
Name:
5-lipoxygenase
Synonyms:
Arachidonate 5-lipoxygenase
Type:
PROTEIN
Mol. Mass.:
49994.23
Organism:
Bos taurus
Description:
ChEMBL_157766
Residue:
430
Sequence:
MPSYTVTVATGSQWFAGTDDYIYLSLVGSAGCSEKHLLDKPFYNDFERGAVDSYDVTVDEELGDIQLIKIEKRKYWFHDDWYLKYITVKTPCGDYIEFPCYRWISGEGEIVLRDGQAKLACDDQIHVLKQHRRKELETRQKQYRWMEWNPGFPLSIDAKCHKDLPRDIQFDSEKGVDFVLNYSKAMENLFINRFMHMFQSSWSDFADFEKIFVRISNTISERVMNHWQEDRMFGYQFLNGCNPVMIQRCLKLPDNLPVTTEMVECSLERQLTLEQEIEQGNIFIVDFKLLDGIDANKTDPCTLQFLAAPICLLYKNLANKIVPIAIQLNQVPGEENPIFLPSDAKYDWLLAKIWVRSSDFHVHQTITHLLRTHLVSEVFGIAMYRQLPAVHPIFKLLVAHVRFTIAINTKAREQLICEYGLFDKANATGG
  
Inhibitor
Name:
BDBM50038649
Synonyms:
2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acetic acid | CHEMBL300982 | Licofelone | ML-3000 | [2-(4-Chloro-phenyl)-6,6-dimethyl-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-acetic acid | [6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YL]ACETIC ACID
Type:
Small organic molecule
Emp. Form.:
C23H22ClNO2
Mol. Mass.:
379.879
SMILES:
CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
Structure:
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