Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetD-amino-acid oxidase
LigandBDBM50605599
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2252172 (CHEMBL5166382)
IC50 20±n/a nM
Citation Tang, HJensen, KHouang, EMcRobb, FMBhat, SSvensson, MBochevarov, ADay, TDahlgren, MKBell, JAFrye, LSkene, RJLewis, JHOsborne, JDTierney, JPGordon, JAPalomero, MAGallati, CChapman, RSLJones, DRHirst, KLSephton, MChauhan, ASharpe, ATardia, PDechaux, EATaylor, AWaddell, RDValentine, AJanssens, HBAziz, OBloomfield, DELadha, SFraser, IJEllard, JM Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrödinger Computational Platform. J Med Chem65:6775-6802 (2022) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
D-amino-acid oxidase
Name:D-amino-acid oxidase
Synonyms:D-amino-acid oxidase (DAAO) | DAAO | DAMOX | DAO | OXDA_HUMAN
Type:Homodimer
Mol. Mass.:39476.06
Organism:Homo sapiens (Human)
Description:P14920
Residue:347
Sequence:
MRVVVIGAGVIGLSTALCIHERYHSVLQPLDIKVYADRFTPLTTTDVAAGLWQPYLSDPN
NPQEADWSQQTFDYLLSHVHSPNAENLGLFLISGYNLFHEAIPDPSWKDTVLGFRKLTPR
ELDMFPDYGYGWFHTSLILEGKNYLQWLTERLTERGVKFFQRKVESFEEVAREGADVIVN
CTGVWAGALQRDPLLQPGRGQIMKVDAPWMKHFILTHDPERGIYNSPYIIPGTQTVTLGG
IFQLGNWSELNNIQDHNTIWEGCCRLEPTLKNARIIGERTGFRPVRPQIRLEREQLRTGP
SNTEVIHNYGHGGYGLTIHWGCALEAAKLFGRILEEKKLSRMPPSHL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50605599
n/a
NameBDBM50605599
Synonyms:CHEMBL5178413
TypeSmall organic molecule
Emp. Form.C14H11N3O3S
Mol. Mass.301.32
SMILESC[C@]1(COc2cc(ccc2S1)C#N)c1c[nH]c(=O)c(=O)[nH]1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: