Reaction Details Report a problem with these data
Target
Leukotriene A-4 hydrolase
Ligand
BDBM290024
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
3.40±n/a nM
Comments
extracted
Citation
 Abeywardane, A; Broadwater, J; Brunette, SR; Kirrane, Jr., TM; Razavi, H; Sibley, R; Smith Keenan, LL; Zhang, Q Inhibitors of leukotriene production US Patent  US9573957 Publication Date 2/21/2017 
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:
BDBM290024
Synonyms:
(3-Hydroxy-3-methyl-cyclobutyl)-(4- {6-[5-(2H-pyrazol-3-yl)-pyridin-2- yloxy]-quinolin-2-ylmethyl}-piperazin- 1-yl)-methanone | US9573957, Example 150
Type:
Small organic molecule
Emp. Form.:
C28H30N6O3
Mol. Mass.:
498.5762
SMILES:
CC1(O)CC(C1)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |(-12.21,.94,;-10.72,1.34,;-11.12,2.83,;-9.23,1.74,;-8.83,.25,;-10.32,-.15,;-7.5,-.52,;-7.5,-2.06,;-6.17,.25,;-4.83,-.52,;-3.5,.25,;-3.5,1.79,;-2.17,2.56,;-.83,1.79,;.5,2.56,;1.84,1.79,;1.84,.25,;3.17,-.52,;3.17,-2.06,;4.5,-2.83,;5.84,-2.06,;5.84,-.52,;7.17,.25,;8.5,-.52,;8.5,-2.06,;7.17,-2.83,;9.84,.25,;9.84,1.79,;11.3,2.27,;12.21,1.02,;11.3,-.22,;1.84,-2.83,;.5,-2.06,;.5,-.52,;-.83,.25,;-4.83,2.56,;-6.17,1.79,)|
Structure:
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