Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid lipoxygenase ALOX15B
Ligand
BDBM50528950
Substrate
n/a
Meas. Tech.
ChEMBL_1906828 (CHEMBL4409186)
IC50
1000±n/a nM
Citation
 Czyzyk, DJ; Valhondo, M; Deiana, L; Tirado-Rives, J; Jorgensen, WL; Anderson, KS Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur J Med Chem 183:0 (2019) [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:
BDBM50528950
Synonyms:
CHEMBL4454174
Type:
Small organic molecule
Emp. Form.:
C22H18N6O5
Mol. Mass.:
446.4155
SMILES:
NC(=O)c1ccc(C(O)=O)c(NC(=O)c2ccc(Cc3c[nH]c4nc(N)[nH]c(=O)c34)cc2)c1
Structure:
Search PDB for entries with ligand similarity: