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Target
Polyunsaturated fatty acid lipoxygenase ALOX15B
Ligand
BDBM50570887
Substrate
n/a
Meas. Tech.
ChEMBL_2113327 (CHEMBL4822177)
IC50
57±n/a nM
Citation
 Alam, MM; Malebari, AM; Syed, N; Neamatallah, T; Almalki, ASA; Elhenawy, AA; Obaid, RJ; Alsharif, MA Design, synthesis and molecular docking studies of thymol based 1,2,3-triazole hybrids as thymidylate synthase inhibitors and apoptosis inducers against breast cancer cells. Bioorg Med Chem 38:0 (2021) [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:
BDBM50570887
Synonyms:
CHEMBL4857252
Type:
Small organic molecule
Emp. Form.:
C21H24F3N5O4
Mol. Mass.:
467.4416
SMILES:
CCOC(=O)C1CCC(N1C(=O)c1cn(CCCNC(=O)C(F)(F)F)nn1)c1ccccc1
Structure:
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