Reaction Details Report a problem with these data
Target
N-acylethanolamine-hydrolyzing acid amidase
Ligand
BDBM393345
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
55±n/a nM
Citation
 Malamas, M; Makriyannis, A; Subramanian, KV; Whitten, KM; Zvonok, NM; West, JM; Mccormack, M; Pavlopoulos, S N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof US Patent  US9963444 Publication Date 5/8/2018 
Target
Name:
N-acylethanolamine-hydrolyzing acid amidase
Synonyms:
ASAH-like protein | ASAHL | Acid ceramidase-like protein | N-acylethanolamine-hydrolyzing acid amidase | N-acylsphingosine amidohydrolase-like | N-acylsphingosine-amidohydrolase | NAAA | NAAA_HUMAN | PLT
Type:
Enzyme
Mol. Mass.:
40073.12
Organism:
Homo sapiens (Human)
Description:
Q02083
Residue:
359
Sequence:
MRTADREARPGLPSLLLLLLAGAGLSAASPPAAPRFNVSLDSVPELRWLPVLRHYDLDLVRAAMAQVIGDRVPKWVHVLIGKVVLELERFLPQPFTGEIRGMCDFMNLSLADCLLVNLAYESSVFCTSIVAQDSRGHIYHGRNLDYPFGNVLRKLTVDVQFLKNGQIAFTGTTFIGYVGLWTGQSPHKFTVSGDERDKGWWWENAIAALFRRHIPVSWLIRATLSESENFEAAVGKLAKTPLIADVYYIVGGTSPREGVVITRNRDGPADIWPLDPLNGAWFRVETNYDHWKPAPKEDDRRTSAIKALNATGQANLSLEALFQILSVVPVYNNFTIYTTVMSAGSPDKYMTRIRNPSRK
  
Inhibitor
Name:
BDBM393345
Synonyms:
3-Fluoro-4-(((1R,3R)-3-isothiocyanatocyclobutoxy)methyl)-3'-(trifluoromethyl)-1,1'-biphenyl | US9963444, Example 47
Type:
Small organic molecule
Emp. Form.:
C19H15F4NOS
Mol. Mass.:
381.387
SMILES:
Fc1cc(ccc1COC1C[C@@H](C1)N=C=S)-c1cccc(c1)C(F)(F)F |r,wU:11.14,(-2.84,4.08,;-2.84,2.54,;-4.17,1.77,;-4.17,.23,;-2.84,-.54,;-1.51,.23,;-1.51,1.77,;-.17,2.54,;1.16,1.77,;2.49,2.54,;3.98,2.14,;4.38,3.62,;2.89,4.02,;5.71,4.39,;7.05,5.16,;8.38,5.93,;-5.51,-.54,;-6.84,.23,;-8.18,-.54,;-8.18,-2.08,;-6.84,-2.91,;-5.51,-2.08,;-6.84,-4.45,;-6.84,-5.99,;-8.38,-4.45,;-5.3,-4.45,)|
Structure:
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