BioLiP

PDB

BioLiP

PDB CCD ID:

A1IWR

Number of entries in BioLiP:

Chemical formula:

C5 H8 N2 O

InChI:

InChI=1S/C5H8N2O/c1-4-2-5(3-6)7-8-4/h2H,3,6H2,1H3

InChIKey:

AZVWIMLQRLKLHH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1onc(CN)c1
OpenEye OEToolkits 2.0.7	Cc1cc(no1)CN

Name:

(5-methyl-1,2-oxazol-3-yl)methanamine

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).