BioLiP

PDB

BioLiP

PDB CCD ID:

A1ANH

Number of entries in BioLiP:

Chemical formula:

C4 H2 N2 O

InChI:

InChI=1S/C4H2N2O/c5-1-4-2-7-3-6-4/h2-3H

InChIKey:

UEEBKQWDBWDPKD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(nco1)C#N
ACDLabs 12.01 CACTVS 3.385	N#Cc1cocn1

Name:

1,3-oxazole-4-carbonitrile

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).