Reaction Details Report a problem with these data
Target
Protein-lysine 6-oxidase
Ligand
BDBM50505638
Substrate
n/a
Meas. Tech.
ChEMBL_1823520 (CHEMBL4323284)
IC50
1260±n/a nM
Citation
 Findlay, AD; Foot, JS; Buson, A; Deodhar, M; Jarnicki, AG; Hansbro, PM; Liu, G; Schilter, H; Turner, CI; Zhou, W; Jarolimek, W Identification and Optimization of Mechanism-Based Fluoroallylamine Inhibitors of Lysyl Oxidase-like 2/3. J Med Chem 62:9874-9889 (2019) [PubMed]  Article 
Target
Name:
Protein-lysine 6-oxidase
Synonyms:
LOX | LYOX_HUMAN | Lysyl oxidase | alpha-Glucosidase (alpha-Glu)
Type:
PROTEIN
Mol. Mass.:
46954.13
Organism:
Homo sapiens (Human)
Description:
ChEMBL_306619
Residue:
417
Sequence:
MRFAWTVLLLGPLQLCALVHCAPPAAGQQQPPREPPAAPGAWRQQIQWENNGQVFSLLSLGSQYQPQRRRDPGAAVPGAANASAQQPRTPILLIRDNRTAAARTRTAGSSGVTAGRPRPTARHWFQAGYSTSRAREAGASRAENQTAPGEVPALSNLRPPSRVDGMVGDDPYNPYKYSDDNPYYNYYDTYERPRPGGRYRPGYGTGYFQYGLPDLVADPYYIQASTYVQKMSMYNLRCAAEENCLASTAYRADVRDYDHRVLLRFPQRVKNQGTSDFLPSRPRYSWEWHSCHQHYHSMDEFSHYDLLDANTQRRVAEGHKASFCLEDTSCDYGYHRRFACTAHTQGLSPGCYDTYGADIDCQWIDITDVKPGNYILKVSVNPSYLVPESDYTNNVVRCDIRYTGHHAYASGCTISPY
  
Inhibitor
Name:
BDBM50505638
Synonyms:
CHEMBL4457578
Type:
Small organic molecule
Emp. Form.:
C22H25ClFN3O4S
Mol. Mass.:
481.968
SMILES:
Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
Structure:
Search PDB for entries with ligand similarity: