Reaction Details Report a problem with these data
Target
Fatty-acid amide hydrolase 1
Ligand
BDBM143388
Substrate
n/a
Meas. Tech.
ChEMBL_1870780 (CHEMBL4371947)
IC50
2.2±n/a nM
Citation
Bhuniya, D; Kharul, RK; Hajare, A; Shaikh, N; Bhosale, S; Balwe, S; Begum, F; De, S; Athavankar, S; Joshi, D; Madgula, V; Joshi, K; Raje, AA; Meru, AV; Magdum, A; Mookhtiar, KA; Barbhaiya, R Discovery and evaluation of novel FAAH inhibitors in neuropathic pain model. Bioorg Med Chem Lett 29:238-243 (2019) [PubMed] Article
More Info.:
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:
BDBM143388
Synonyms:
US9682953, 20.A-13
Type:
Small organic molecule
Emp. Form.:
C27H23F3N4O2
Mol. Mass.:
492.4923
SMILES:
FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cnc4[nH]ccc4c3)c2)nc1 |(-12.67,-.39,;-11.34,.38,;-11.34,1.93,;-11.34,-1.16,;-10,-.38,;-8.67,.38,;-7.34,-.38,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;4.67,.38,;6,-.38,;6,-1.93,;7.34,.38,;8.67,-.38,;10,.38,;10,1.93,;11.15,2.96,;10.52,4.36,;8.99,4.2,;8.67,2.69,;7.34,1.93,;-3.33,-2.69,;-8.67,-2.69,;-10,-1.93,)|