Reaction Details Report a problem with these data
Target
5-lipoxygenase
Ligand
BDBM50038656
Substrate
n/a
Meas. Tech.
ChEMBL_3987 (CHEMBL619259)
IC50
1800±n/a nM
Citation
 Laufer, SA; Augustin, J; Dannhardt, G; Kiefer, W (6,7-Diaryldihydropyrrolizin-5-yl)acetic acids, a novel class of potent dual inhibitors of both cyclooxygenase and 5-lipoxygenase. J Med Chem 37:1894-7 (1994) [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:
BDBM50038656
Synonyms:
CHEMBL54486 | [6,6-Dimethyl-1-phenyl-2-(2,3,4-trichloro-phenyl)-6,7-dihydro-5H-pyrrolizin-3-yl]-acetic acid
Type:
Small organic molecule
Emp. Form.:
C23H20Cl3NO2
Mol. Mass.:
448.769
SMILES:
CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)c(Cl)c1Cl)-c1ccccc1 |(-.86,-6.25,;.23,-7.34,;-.86,-8.42,;1.13,-6.09,;2.6,-6.56,;4.06,-6.07,;4.98,-7.31,;4.08,-8.56,;4.56,-10.02,;3.55,-11.18,;4.04,-12.64,;2.03,-10.87,;2.6,-8.09,;1.14,-8.59,;6.52,-7.29,;7.26,-5.96,;8.79,-5.93,;9.59,-7.26,;11.12,-7.26,;8.83,-8.61,;9.59,-9.94,;7.29,-8.62,;6.5,-9.94,;4.52,-4.61,;6.02,-4.28,;6.48,-2.81,;5.45,-1.68,;3.93,-2.01,;3.47,-3.47,)|
Structure:
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