Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid lipoxygenase ALOX15B
Ligand
BDBM50011933
Substrate
n/a
Meas. Tech.
ChEBML_28
IC50
3590±n/a nM
Citation
 Cho, H; Ueda, M; Tamaoka, M; Hamaguchi, M; Aisaka, K; Kiso, Y; Inoue, T; Ogino, R; Tatsuoka, T; Ishihara, T Novel caffeic acid derivatives: extremely potent inhibitors of 12-lipoxygenase. J Med Chem 34:1503-5 (1991) [PubMed]  Article 
Target
Name:
Polyunsaturated fatty acid lipoxygenase ALOX15B
Synonyms:
Alox15b | Arachidonate 15-lipoxygenase, type II | LX15B_RAT
Type:
PROTEIN
Mol. Mass.:
76140.88
Organism:
Rattus norvegicus
Description:
ChEMBL_12426
Residue:
677
Sequence:
MAKFRVRVSTGEACGAGTWDKVSVSIVGTHGESPLVPLDHLGKEFSAGAEEDFEVTLPQDVGTVLMLRIHKAPPEAPLPLLSFPPDAWYCRWFELEWLPGAALRFPCYQWLEGAGELVLREGAAKVSWQDHHRTLQDQRQKELESRKDMYSWKTYIEGWPHCLDHETVKDLDLNIKYSAMKNAKFFFKAQSAFTELKFKGLLDRTGLWRSLREMKRMFNFHNTPAAEYVFAHWQEDAFFASQFLNGLNPVLIRRCRRLPENFPVTDEMVAPVLGPGTSLQAELEKGSLFLVDHGILSGVQTNVINGKPQFSAAPMTLLYQSPGSGPLLPIAIQLKQTPGPDNPIFLPSDDKWDWLLAKTWVRNAEFSIHEALTHLLHAHLIPEVFALATLRQLPHCHPLFKLLIPHTRYTLHINTLARELLIAPGKVVDKSTGLGIGGFSDLIKRNMEQLSYSVLCLPEDIRARDVGDLPGYYYRDDGMQIWSAIRSFVSEIVDIYYPSDASVRDDQELQAWVGEIFSEGFLSQESSGMPSLLDTQEALVQYVTMVIFTCSAKHAAVSASQFDSCVWMPNLPPSMQLPPPTSKGQASPEGFIATLPAVNATCDVIIALWLLSKEPGDRRPLGHYPDEHFTEEVPRRSIAAFQRKLIQISSGIRKRNQSLALPYTYLDPPLIENSVSI
  
Inhibitor
Name:
BDBM50011933
Synonyms:
2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 4-phenyl-butyl ester | CHEMBL417327
Type:
Small organic molecule
Emp. Form.:
C20H19NO4
Mol. Mass.:
337.3692
SMILES:
Oc1ccc(\C=C(/C#N)C(=O)OCCCCc2ccccc2)cc1O
Structure:
Search PDB for entries with ligand similarity: