Reaction Details Report a problem with these data
Target
N-acylethanolamine-hydrolyzing acid amidase
Ligand
BDBM447483
Substrate
n/a
Meas. Tech.
Inhibition of Test Compounds NAAA Assay
IC50
55±n/a nM
Citation
 Malamas, MS; Makriyannis, A; Farah, SI; Zvonok, AM; Alapafuja, SO N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and use thereof US Patent  US10689357 Publication Date 6/23/2020 
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:
BDBM447483
Synonyms:
US10689357, Example 21
Type:
Small organic molecule
Emp. Form.:
C18H16N2O3S
Mol. Mass.:
340.396
SMILES:
COc1ccc(cc1)-c1ccc(nc1)C(=O)O[C@H]1C[C@H](C1)N=C=S |r,wU:17.18,19.23,(-9.61,-3.62,;-8.28,-4.39,;-6.94,-3.62,;-6.94,-2.08,;-5.61,-1.31,;-4.28,-2.08,;-4.28,-3.62,;-5.61,-4.39,;-2.94,-1.31,;-2.94,.23,;-1.61,1,;-.28,.23,;-.28,-1.31,;-1.61,-2.08,;1.06,1,;1.06,2.54,;2.39,.23,;3.72,1,;4.12,2.48,;5.61,2.08,;5.21,.6,;6.94,2.85,;8.28,3.62,;9.61,4.39,)|
Structure:
Search PDB for entries with ligand similarity: