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Target
N-acylethanolamine-hydrolyzing acid amidase
Ligand
BDBM447493
Substrate
n/a
Meas. Tech.
ChEMBL_2126462 (CHEMBL4835807)
IC50
3.2±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:
BDBM447493
Synonyms:
US10689357, Example 30
Type:
Small organic molecule
Emp. Form.:
C18H17FN2O3S2
Mol. Mass.:
392.468
SMILES:
COc1ccc(cc1F)-c1ccc(cc1)S(=O)(=O)N[C@H]1C[C@H](C1)N=C=S |r,wU:19.20,21.25,(-11.93,2.49,;-11.4,1.04,;-9.86,1.04,;-9.09,2.37,;-7.55,2.37,;-6.78,1.04,;-7.55,-.3,;-9.09,-.3,;-9.86,-1.63,;-5.24,1.04,;-4.47,-.3,;-2.93,-.3,;-2.16,1.04,;-2.93,2.37,;-4.47,2.37,;-.62,1.04,;-.62,-.5,;-.62,2.58,;.92,1.04,;2.46,1.04,;3.54,2.13,;5.14,1.04,;3.54,-.05,;7.03,1.04,;7.98,2.68,;8.93,4.32,)|
Structure:
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