Reaction Details Report a problem with these data
Target
N-acylethanolamine-hydrolyzing acid amidase
Ligand
BDBM393347
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
550±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:
BDBM393347
Synonyms:
US9963444, Example 49
Type:
Small organic molecule
Emp. Form.:
C18H16BrNO2S
Mol. Mass.:
390.294
SMILES:
Brc1cc(Oc2ccccc2)ccc1CO[C@H]1C[C@H](C1)N=C=S |r,wU:16.17,18.22,(.39,3.24,;-.94,2.47,;-2.28,3.24,;-3.61,2.47,;-4.94,3.24,;-6.28,2.47,;-7.61,3.24,;-8.95,2.47,;-8.95,.93,;-7.61,.16,;-6.28,.93,;-3.61,.93,;-2.28,.16,;-.94,.93,;.39,.16,;1.72,.93,;3.06,.16,;4.55,.56,;4.94,-.93,;3.46,-1.33,;6.28,-1.7,;7.61,-2.47,;8.95,-3.24,)|
Structure:
Search PDB for entries with ligand similarity: