BioLiP

PDB

BioLiP

PDB CCD ID:

4R6

Number of entries in BioLiP:

Chemical formula:

C19 H17 Cl N2 O3

InChI:

InChI=1S/C19H17ClN2O3/c1-12-17(13(2)25-22-12)11-24-18-9-4-3-8-16(18)19(23)21-15-7-5-6-14(20)10-15/h3-10H,11H2,1-2H3,(H,21,23)

InChIKey:

GBCRFZDGOAATHA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c(on1)C)COc2ccccc2C(=O)Nc3cccc(c3)Cl
CACTVS 3.385	Cc1onc(C)c1COc2ccccc2C(=O)Nc3cccc(Cl)c3

Name:

~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

ZINC:

ZINC000008343843

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).