Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid lipoxygenase ALOX15B
Ligand
BDBM50011931
Substrate
n/a
Meas. Tech.
ChEBML_28
IC50
3330±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
More Info.:
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:
BDBM50011931
Synonyms:
(2E)‐3‐phenylprop‐2‐en‐1‐yl(2E)‐2‐cyano‐3‐(3,4‐ dihydroxyphenyl)prop‐2‐enoate (C4) | 2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-phenyl-allyl ester | CHEMBL37141
Type:
Small organic molecule
Emp. Form.:
C19H15NO4
Mol. Mass.:
321.3267
SMILES:
Oc1ccc(\C=C(/C#N)C(=O)OC\C=C\c2ccccc2)cc1O