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Target
N-acylethanolamine-hydrolyzing acid amidase
Ligand
BDBM447489
Substrate
n/a
Meas. Tech.
ChEMBL_2126462 (CHEMBL4835807)
IC50
6.3±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:
BDBM447489
Synonyms:
US10689357, Example 26
Type:
Small organic molecule
Emp. Form.:
C17H17N3O3S2
Mol. Mass.:
375.465
SMILES:
COc1ccc(cc1)-c1ccc(nc1)S(=O)(=O)N[C@H]1C[C@H](C1)N=C=S |r,wU:18.19,20.24,(-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,;.29,2.33,;1.83,2.33,;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:
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