Target
D-amino-acid oxidase
Ligand
BDBM50605565
Substrate
n/a
Meas. Tech.
ChEMBL_2252172 (CHEMBL5166382)
IC50
320±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 Chem 65:6775-6802 (2022) [PubMed] 
Target
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:
MRVVVIGAGVIGLSTALCIHERYHSVLQPLDIKVYADRFTPLTTTDVAAGLWQPYLSDPNNPQEADWSQQTFDYLLSHVHSPNAENLGLFLISGYNLFHEAIPDPSWKDTVLGFRKLTPRELDMFPDYGYGWFHTSLILEGKNYLQWLTERLTERGVKFFQRKVESFEEVAREGADVIVNCTGVWAGALQRDPLLQPGRGQIMKVDAPWMKHFILTHDPERGIYNSPYIIPGTQTVTLGGIFQLGNWSELNNIQDHNTIWEGCCRLEPTLKNARIIGERTGFRPVRPQIRLEREQLRTGPSNTEVIHNYGHGGYGLTIHWGCALEAAKLFGRILEEKKLSRMPPSHL
  
Inhibitor
Name:
BDBM50605565
Synonyms:
CHEMBL5178020
Type:
Small organic molecule
Emp. Form.:
C15H13FN4O3
Mol. Mass.:
316.2871
SMILES:
Oc1cc([nH]n1)-c1ccc(CCc2c[nH]c(=O)c(=O)[nH]2)cc1F
Structure:
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