BioLiP

PDB

BioLiP

PDB CCD ID:

FOY

Number of entries in BioLiP:

Chemical formula:

C17 H16 N2 O2

InChI:

InChI=1S/C17H16N2O2/c1-12-17(13(2)21-18-12)15-8-9-16(20)19(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3

InChIKey:

CIJOVPIWGFQZFF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3
CACTVS 3.385	Cc1onc(C)c1C2=CN(Cc3ccccc3)C(=O)C=C2
ACDLabs 12.01	O=C2N(Cc1ccccc1)C=C(C=C2)c3c(C)onc3C

Name:

1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one

ChEMBL:

CHEMBL4251258

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).