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Target
D-amino-acid oxidase
Ligand
BDBM50605597
Substrate
n/a
Meas. Tech.
ChEMBL_2252184 (CHEMBL5166394)
EC50
260±n/a nM
Citation
 Tang, H; Jensen, K; Houang, E; McRobb, FM; Bhat, S; Svensson, M; Bochevarov, A; Day, T; Dahlgren, MK; Bell, JA; Frye, L; Skene, RJ; Lewis, JH; Osborne, JD; Tierney, JP; Gordon, JA; Palomero, MA; Gallati, C; Chapman, RSL; Jones, DR; Hirst, KL; Sephton, M; Chauhan, A; Sharpe, A; Tardia, P; Dechaux, EA; Taylor, A; Waddell, RD; Valentine, A; Janssens, HB; Aziz, O; Bloomfield, DE; Ladha, S; Fraser, IJ; Ellard, 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:
DAAO | DAMOX | Dao | Dao1 | OXDA_MOUSE
Type:
PROTEIN
Mol. Mass.:
38667.41
Organism:
Mus musculus
Description:
ChEMBL_947855
Residue:
345
Sequence:
MRVAVIGAGVIGLSTALCIHERYHPTQPLHMKIYADRFTPFTTSDVAAGLWQPYLSDPSNPQEAEWSQQTFDYLLSCLHSPNAEKMGLALISGYNLFRDEVPDPFWKNAVLGFRKLTPSEMDLFPDYGYGWFNTSLLLEGKSYLPWLTERLTERGVKLIHRKVESLEEVARGVDVIINCTGVWAGALQADASLQPGRGQIIQVEAPWIKHFILTHDPSLGIYNSPYIIPGSKTVTLGGIFQLGNWSGLNSVRDHNTIWKSCCKLEPTLKNARIVGELTGFRPVRPQVRLEREWLRHGSSSAEVIHNYGHGGYGLTIHWGCAMEAANLFGKILEEKKLSRLPPSHL
  
Inhibitor
Name:
BDBM50605597
Synonyms:
CHEMBL5204161
Type:
Small organic molecule
Emp. Form.:
C14H11F3N2O3S
Mol. Mass.:
344.309
SMILES:
C[C@]1(COc2cc(ccc2S1)C(F)(F)F)c1c[nH]c(=O)c(=O)[nH]1 |r|
Structure:
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