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Target
N-acylethanolamine-hydrolyzing acid amidase
Ligand
BDBM393336
Substrate
n/a
Meas. Tech.
ChEMBL_2126462 (CHEMBL4835807)
IC50
8.8±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:
BDBM393336
Synonyms:
5-(3-Fluoro-4-(((1S,3S)-3-isothiocyanatocyclobutoxy)methyl)phenyl)benzo[d][1,3]dioxole | US9963444, Example 39
Type:
Small organic molecule
Emp. Form.:
C19H16FNO3S
Mol. Mass.:
357.399
SMILES:
Fc1cc(ccc1CO[C@H]1C[C@H](C1)N=C=S)-c1ccc2OCOc2c1 |r,wU:9.9,11.14,(-2.37,3.37,;-2.37,1.83,;-3.7,1.06,;-3.7,-.48,;-2.37,-1.25,;-1.04,-.48,;-1.04,1.06,;.3,1.83,;1.63,1.06,;2.96,1.83,;3.36,3.32,;4.85,2.92,;4.45,1.43,;6.18,3.69,;7.52,4.46,;8.85,5.23,;-5.04,-1.25,;-6.37,-.48,;-7.71,-1.25,;-7.71,-2.79,;-8.85,-3.82,;-8.22,-5.23,;-6.69,-5.07,;-6.37,-3.56,;-5.04,-2.79,)|
Structure:
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