BioLiP

PDB

BioLiP

PDB CCD ID:

A5Z

Number of entries in BioLiP:

Chemical formula:

C11 H9 Cl2 N O2

InChI:

InChI=1S/C11H9Cl2NO2/c1-6-7(5-15)11(14-16-6)10-8(12)3-2-4-9(10)13/h2-4,15H,5H2,1H3

InChIKey:

YDHHKMQOVBJACX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1onc(c1CO)c2c(Cl)cccc2Cl
OpenEye OEToolkits 2.0.6	Cc1c(c(no1)c2c(cccc2Cl)Cl)CO

Name:

[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol

ZINC:

ZINC000000075408

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).