Reaction Details Report a problem with these data
Target
Leukotriene A-4 hydrolase
Ligand
BDBM50294172
Substrate
n/a
Meas. Tech.
ChEMBL_571719 (CHEMBL1032964)
IC50
1667000±n/a nM
Citation
 Davies, DR; Mamat, B; Magnusson, OT; Christensen, J; Haraldsson, MH; Mishra, R; Pease, B; Hansen, E; Singh, J; Zembower, D; Kim, H; Kiselyov, AS; Burgin, AB; Gurney, ME; Stewart, LJ Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J Med Chem 52:4694-715 (2009) [PubMed]  Article 
Target
Name:
Leukotriene A-4 hydrolase
Synonyms:
Leukotriene A(4) hydrolase | Leukotriene A-4 hydrolase (LTA4H) | LTA-4 hydrolase | LKHA4_HUMAN | LTA4H | LTA4 | Leukotriene A4 hydrolase
Type:
Hydrolase; metalloprotease
Mol. Mass.:
69280.41
Organism:
Human
Description:
Human recombinant LTA4H.
Residue:
611
Sequence:
MPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNLRSLVLDTKDLTIEKVVINGQEVKYALGERQSYKGSPMEISLPIALSKNQEIVIEISFETSPKSSALQWLTPEQTSGKEHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGETPDPEDPSRKIYKFIQKVPIPCYLIALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKIAEDLGGPYVWGQYDLLVLPPSFPYGGMENPCLTFVTPTLLAGDKSLSNVIAHEISHSWTGNLVTNKTWDHFWLNEGHTVYLERHICGRLFGEKFRHFNALGGWGELQNSVKTFGETHPFTKLVVDLTDIDPDVAYSSVPYEKGFALLFYLEQLLGGPEIFLGFLKAYVEKFSYKSITTDDWKDFLYSYFKDKVDVLNQVDWNAWLYSPGLPPIKPNYDMTLTNACIALSQRWITAKEDDLNSFNATDLKDLSSHQLNEFLAQTLQRAPLPLGHIKRMQEVYNFNAINNSEIRFRWLRLCIQSKWEDAIPLALKMATEQGRMKFTRPLFKDLAAFDKSHDQAVRTYQEHKASMHPVTAMLVGKDLKVD
  
Inhibitor
Name:
BDBM50294172
Synonyms:
N-(pyridin-3-ylmethyl)benzenamine | N-(pyridin-3-ylmethyl)aniline | CHEMBL264669
Type:
Small organic molecule
Emp. Form.:
C12 H12 N2
Mol. Mass.:
184.23707
SMILES:
c1ccc(cc1)NCc2cccnc2
Structure:
Search PDB for entries with ligand similarity: