Reaction Details Report a problem with these data
Target
Fatty-acid amide hydrolase 1
Ligand
BDBM50454633
Substrate
n/a
Meas. Tech.
ChEMBL_1752866 (CHEMBL4187626)
IC50
100±n/a nM
Citation
 Kodani, SD; Bhakta, S; Hwang, SH; Pakhomova, S; Newcomer, ME; Morisseau, C; Hammock, BD Identification and optimization of soluble epoxide hydrolase inhibitors with dual potency towards fatty acid amide hydrolase. Bioorg Med Chem Lett 28:762-768 (2018) [PubMed]  Article 
Target
Name:
Fatty-acid amide hydrolase 1
Synonyms:
Anandamide amidohydrolase | Anandamide amidohydrolase 1 | FAAH | FAAH1 | FAAH1_HUMAN | Fatty Acid Amide Hydrolase (FAAH) | Fatty-acid amide hydrolase (FAAH) | Fatty-acid amide hydrolase 1 | Oleamide hydrolase 1
Type:
Protein
Mol. Mass.:
63071.19
Organism:
Homo sapiens (Human)
Description:
O00519
Residue:
579
Sequence:
MVQYELWAALPGASGVALACCFVAAAVALRWSGRRTARGAVVRARQRQRAGLENMDRAAQRFRLQNPDLDSEALLALPLPQLVQKLHSRELAPEAVLFTYVGKAWEVNKGTNCVTSYLADCETQLSQAPRQGLLYGVPVSLKECFTYKGQDSTLGLSLNEGVPAECDSVVVHVLKLQGAVPFVHTNVPQSMFSYDCSNPLFGQTVNPWKSSKSPGGSSGGEGALIGSGGSPLGLGTDIGGSIRFPSSFCGICGLKPTGNRLSKSGLKGCVYGQEAVRLSVGPMARDVESLALCLRALLCEDMFRLDPTVPPLPFREEVYTSSQPLRVGYYETDNYTMPSPAMRRAVLETKQSLEAAGHTLVPFLPSNIPHALETLSTGGLFSDGGHTFLQNFKGDFVDPCLGDLVSILKLPQWLKGLLAFLVKPLLPRLSAFLSNMKSRSAGKLWELQHEIEVYRKTVIAQWRALDLDVVLTPMLAPALDLNAPGRATGAVSYTMLYNCLDFPAGVVPVTTVTAEDEAQMEHYRGYFGDIWDKMLQKGMKKSVGLPVAVQCVALPWQEELCLRFMREVERLMTPEKQSS
  
Inhibitor
Name:
BDBM50454633
Synonyms:
CHEMBL4206149
Type:
Small organic molecule
Emp. Form.:
C23H26F3N3O5
Mol. Mass.:
481.4648
SMILES:
OCCNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:11.10,wD:14.17,(55.98,-29.23,;54.65,-28.46,;53.32,-29.23,;51.98,-28.46,;50.65,-29.23,;50.65,-30.77,;49.32,-28.46,;47.98,-29.23,;46.65,-28.45,;46.66,-26.91,;45.33,-26.14,;43.99,-26.91,;43.99,-28.45,;42.66,-29.21,;41.33,-28.44,;41.32,-26.9,;42.66,-26.14,;40,-29.21,;38.66,-28.44,;38.66,-26.9,;37.33,-29.21,;35.99,-28.45,;34.66,-29.22,;33.32,-28.45,;33.32,-26.9,;31.99,-26.13,;31.99,-24.59,;31.99,-23.19,;33.24,-23.58,;30.74,-23.58,;34.65,-26.13,;35.99,-26.9,;47.98,-26.14,;49.32,-26.91,)|
Structure:
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