BioLiP

PDB

BioLiP

PDB CCD ID:

5HS

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O

InChI:

InChI=1S/C11H12N2O/c1-9-8-14-13-11(9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,4-5H2,1H3

InChIKey:

ZUKCCHMCKBWNOY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c2ncc(CCc1c(con1)C)cc2
CACTVS 3.385 OpenEye OEToolkits 1.9.2	Cc1conc1CCc2cccnc2

Name:

3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine

ZINC:

ZINC000584905064

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).