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Target
Leukotriene A-4 hydrolase
Ligand
BDBM50251825
Substrate
n/a
Meas. Tech.
ChEMBL_744414 (CHEMBL1772368)
IC50
25±n/a nM
Citation
 Thangapandian, S; John, S; Sakkiah, S; Lee, KW Pharmacophore-based virtual screening and Bayesian model for the identification of potential human leukotriene A4 hydrolase inhibitors. Eur J Med Chem 46:1593-603 (2011) [PubMed]  Article 
Target
Name:
Leukotriene A-4 hydrolase
Synonyms:
LKHA4_HUMAN | LTA-4 hydrolase | LTA4 | LTA4H | Leukotriene A(4) hydrolase | Leukotriene A-4 hydrolase (LTA4H) | Leukotriene A4 hydrolase
Type:
Hydrolase; metalloprotease
Mol. Mass.:
69280.41
Organism:
Homo sapiens (Human)
Description:
Human recombinant LTA4H.
Residue:
611
Sequence:
MPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNLRSLVLDTKDLTIEKVVINGQEVKYALGERQSYKGSPMEISLPIALSKNQEIVIEISFETSPKSSALQWLTPEQTSGKEHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGETPDPEDPSRKIYKFIQKVPIPCYLIALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKIAEDLGGPYVWGQYDLLVLPPSFPYGGMENPCLTFVTPTLLAGDKSLSNVIAHEISHSWTGNLVTNKTWDHFWLNEGHTVYLERHICGRLFGEKFRHFNALGGWGELQNSVKTFGETHPFTKLVVDLTDIDPDVAYSSVPYEKGFALLFYLEQLLGGPEIFLGFLKAYVEKFSYKSITTDDWKDFLYSYFKDKVDVLNQVDWNAWLYSPGLPPIKPNYDMTLTNACIALSQRWITAKEDDLNSFNATDLKDLSSHQLNEFLAQTLQRAPLPLGHIKRMQEVYNFNAINNSEIRFRWLRLCIQSKWEDAIPLALKMATEQGRMKFTRPLFKDLAAFDKSHDQAVRTYQEHKASMHPVTAMLVGKDLKVD
  
Inhibitor
Name:
BDBM50251825
Synonyms:
4-((methyl(3-(methyl(2-oxo-2-(4-phenoxyphenylamino)ethyl)amino)propyl)amino)methyl)cyclohexanecarboxylic acid | CHEMBL479401
Type:
Small organic molecule
Emp. Form.:
C27H37N3O4
Mol. Mass.:
467.6004
SMILES:
CN(CCCN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC1CCC(CC1)C(O)=O |(7.49,-15.66,;7.49,-14.12,;6.16,-13.35,;4.83,-14.12,;3.49,-13.35,;2.16,-14.12,;2.16,-15.66,;.83,-13.35,;-.51,-14.11,;-.51,-15.65,;-1.84,-13.34,;-3.18,-14.11,;-4.52,-13.34,;-5.85,-14.11,;-5.85,-15.66,;-7.18,-16.43,;-8.51,-15.65,;-9.85,-16.43,;-11.18,-15.66,;-11.18,-14.12,;-9.83,-13.35,;-8.51,-14.12,;-4.52,-16.43,;-3.18,-15.66,;8.83,-13.35,;10.16,-14.12,;10.15,-15.66,;11.48,-16.43,;12.81,-15.67,;12.82,-14.13,;11.49,-13.35,;14.15,-16.45,;14.14,-17.99,;15.48,-15.68,)|
Structure:
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