Reaction Details Report a problem with these data
Target
5-lipoxygenase
Ligand
BDBM50038659
Substrate
n/a
Meas. Tech.
ChEMBL_3987 (CHEMBL619259)
IC50
4300±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:
BDBM50038659
Synonyms:
CHEMBL56033 | [2-(2,5-Dichloro-phenyl)-6,6-dimethyl-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-acetic acid
Type:
Small organic molecule
Emp. Form.:
C23H21Cl2NO2
Mol. Mass.:
414.324
SMILES:
CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1cc(Cl)ccc1Cl)-c1ccccc1 |(-.86,-8.42,;.23,-7.34,;-.86,-6.25,;1.13,-6.09,;2.6,-6.56,;4.06,-6.06,;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,-8.58,;6.51,-7.28,;7.26,-5.96,;8.79,-5.93,;9.55,-4.6,;9.59,-7.26,;8.82,-8.61,;7.28,-8.61,;6.5,-9.94,;4.52,-4.6,;3.47,-3.47,;3.93,-2.01,;5.45,-1.68,;6.48,-2.81,;6.02,-4.28,)|
Structure:
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