Reaction Details Report a problem with these data
Target
Fatty-acid amide hydrolase 1 [30-579]
Ligand
BDBM143267
Substrate
n/a
Meas. Tech.
ChEMBL_1870781 (CHEMBL4371948)
IC50
9.0±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 
Target
Name:
Fatty-acid amide hydrolase 1 [30-579]
Synonyms:
Anandamide amidohydrolase 1 | FAAH1_RAT | Faah | Faah1 | Fatty Acid Amide Hydrolase | Fatty Acid Amide Hydrolic, FAAH | Fatty-acid amide hydrolase (FAAH) | Fatty-acid amide hydrolase 1 | Fatty-acid amide hydrolase 1 (FAAH) | Fatty-acid amide hydrolase 1 (aa 30-579) | Oleamide hydrolase 1
Type:
Single-pass membrane protein; homodimer
Mol. Mass.:
60474.00
Organism:
Rattus norvegicus (rat)
Description:
P97612 (aa 30-579)
Residue:
550
Sequence:
RWTGRQKARGAATRARQKQRASLETMDKAVQRFRLQNPDLDSEALLTLPLLQLVQKLQSGELSPEAVFFTYLGKAWEVNKGTNCVTSYLTDCETQLSQAPRQGLLYGVPVSLKECFSYKGHDSTLGLSLNEGMPSESDCVVVQVLKLQGAVPFVHTNVPQSMLSFDCSNPLFGQTMNPWKSSKSPGGSSGGEGALIGSGGSPLGLGTDIGGSIRFPSAFCGICGLKPTGNRLSKSGLKGCVYGQTAVQLSLGPMARDVESLALCLKALLCEHLFTLDPTVPPLPFREEVYRSSRPLRVGYYETDNYTMPSPAMRRALIETKQRLEAAGHTLIPFLPNNIPYALEVLSAGGLFSDGGRSFLQNFKGDFVDPCLGDLILILRLPSWFKRLLSLLLKPLFPRLAAFLNSMRPRSAEKLWKLQHEIEMYRQSVIAQWKAMNLDVLLTPMLGPALDLNTPGRATGAISYTVLYNCLDFPAGVVPVTTVTAEDDAQMELYKGYFGDIWDIILKKAMKNSVGLPVAVQCVALPWQEELCLRFMREVEQLMTPQKQPS
  
Inhibitor
Name:
BDBM143267
Synonyms:
US9682953, 2.B-15
Type:
Small organic molecule
Emp. Form.:
C27H23F3N6O2
Mol. Mass.:
520.5057
SMILES:
FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3ccc(nc3)-n3nccn3)c2)nc1 |(-12.39,-3.91,;-11.06,-3.14,;-11.06,-1.6,;-11.06,-4.68,;-9.72,-3.91,;-8.39,-3.14,;-7.06,-3.91,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;7.61,-1.6,;8.95,-.83,;10.28,-1.6,;10.28,-3.14,;8.95,-3.91,;11.61,-.83,;13.02,-1.45,;14.05,-.31,;13.28,1.02,;11.77,.7,;-3.06,-6.22,;-8.39,-6.22,;-9.72,-5.45,)|
Structure:
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