BioLiP

PDB

BioLiP

PDB CCD ID:

WQ4

Number of entries in BioLiP:

Chemical formula:

C5 H5 N3 O

InChI:

InChI=1S/C5H5N3O/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3

InChIKey:

OVIXKBXQNCJGDG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1nc(c(o1)N)C#N
ACDLabs 12.01	N#Cc1c(oc(n1)C)N
CACTVS 3.385	Cc1oc(N)c(n1)C#N

Name:

5-amino-2-methyl-1,3-oxazole-4-carbonitrile

ZINC:

ZINC000000335545

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).