Reaction Details Report a problem with these data
Target
N-acylethanolamine-hydrolyzing acid amidase
Ligand
BDBM447497
Substrate
n/a
Meas. Tech.
ChEMBL_2126462 (CHEMBL4835807)
IC50
7.0±n/a nM
Citation
 Malamas, MS; Pavlopoulos, S; Alapafuja, SO; Farah, SI; Zvonok, A; Mohammad, KA; West, J; Perry, NT; Pelekoudas, DN; Rajarshi, G; Shields, C; Chandrashekhar, H; Wood, J; Makriyannis, A Design and Structure-Activity Relationships of Isothiocyanates as Potent and Selective  J Med Chem 64:5956-5972 (2021) [PubMed]  Article 
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:
BDBM447497
Synonyms:
US10689357, Example 33
Type:
Small organic molecule
Emp. Form.:
C19H18N2O3S
Mol. Mass.:
354.423
SMILES:
COc1ccc(cc1)-c1ccc(OC(=O)N[C@H]2C[C@H](C2)N=C=S)cc1 |r,wU:16.16,18.21,(-10.53,-1.93,;-9.2,-2.7,;-7.86,-1.93,;-7.86,-.39,;-6.53,.39,;-5.2,-.39,;-5.2,-1.93,;-6.53,-2.7,;-3.86,.39,;-3.86,1.93,;-2.53,2.7,;-1.19,1.93,;.14,2.7,;1.47,1.93,;1.47,.39,;2.81,2.7,;4.64,1.93,;6.13,2.32,;6.53,.84,;5.04,.44,;7.86,.07,;9.2,-.7,;10.53,-1.47,;-1.19,.39,;-2.53,-.39,)|
Structure:
Search PDB for entries with ligand similarity: