BioLiP

PDB

BioLiP

PDB CCD ID:

J9Q

Number of entries in BioLiP:

Chemical formula:

C9 H8 N2 O

InChI:

InChI=1S/C9H8N2O/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H,10H2

InChIKey:

UZPQWOKKMYUKNI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)c2cnco2)N
CACTVS 3.385	Nc1ccccc1c2ocnc2

Name:

2-(1,3-oxazol-5-yl)aniline

ZINC:

ZINC000004271694

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).