Reaction Details Report a problem with these data
Target
N-acylethanolamine-hydrolyzing acid amidase
Ligand
BDBM393337
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:
BDBM393337
Synonyms:
3-Fluoro-4-(((1S,3S)-3-isothiocyanatocyclobutoxy)methyl)-3',4'-dimethoxy-1,1'-biphenyl | US9963444, Example 40
Type:
Small organic molecule
Emp. Form.:
C20H20FNO3S
Mol. Mass.:
373.441
SMILES:
COc1ccc(cc1OC)-c1ccc(CO[C@H]2C[C@H](C2)N=C=S)c(F)c1 |r,wU:16.16,18.21,(-9.57,-3.03,;-8.08,-3.43,;-6.99,-2.34,;-6.99,-.8,;-5.66,-.03,;-4.32,-.8,;-4.32,-2.34,;-5.66,-3.11,;-6.05,-4.59,;-4.97,-5.68,;-2.99,-.03,;-1.66,-.8,;-.32,-.03,;-.32,1.51,;1.01,2.28,;2.35,1.51,;3.68,2.28,;4.08,3.77,;5.57,3.37,;5.17,1.89,;6.9,4.14,;8.23,4.91,;9.57,5.68,;-1.66,2.28,;-1.66,3.82,;-2.99,1.51,)|
Structure:
Search PDB for entries with ligand similarity: