Reaction Details Report a problem with these data
Target
N-acylethanolamine-hydrolyzing acid amidase
Ligand
BDBM393335
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
55±n/a nM
Citation
 Malamas, M; Makriyannis, A; Subramanian, KV; Whitten, KM; Zvonok, NM; West, JM; Mccormack, M; Pavlopoulos, S N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof US Patent  US9963444 Publication Date 5/8/2018 
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:
BDBM393335
Synonyms:
6-(3-Fluoro-4-(((1S,3S)-3-isothiocyanatocyclobutoxy)methyl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine | US9963444, Example 38
Type:
Small organic molecule
Emp. Form.:
C20H18FNO3S
Mol. Mass.:
371.425
SMILES:
Fc1cc(ccc1CO[C@H]1C[C@H](C1)N=C=S)-c1ccc2OCCOc2c1 |r,wU:9.9,11.14,(-2.28,3.69,;-2.28,2.15,;-3.61,1.38,;-3.61,-.16,;-2.28,-.93,;-.94,-.16,;-.94,1.38,;.39,2.15,;1.72,1.38,;3.06,2.15,;3.46,3.64,;4.94,3.24,;4.55,1.75,;6.28,4.01,;7.61,4.78,;8.95,5.55,;-4.94,-.93,;-6.28,-.16,;-7.61,-.93,;-7.61,-2.47,;-8.95,-3.24,;-8.95,-4.78,;-7.61,-5.55,;-6.28,-4.78,;-6.28,-3.24,;-4.94,-2.47,)|
Structure:
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