BioLiP

PDB

BioLiP

PDB CCD ID:

EHT

Number of entries in BioLiP:

Chemical formula:

C14 H14 N4 O

InChI:

InChI=1S/C14H14N4O/c1-9-12(10(2)19-17-9)13-14(18(3)8-16-13)11-4-6-15-7-5-11/h4-8H,1-3H3

InChIKey:

XPQAEPLMWBAUIW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1c(c(on1)C)c2c(n(cn2)C)c3ccncc3
CACTVS 3.385	Cn1cnc(c1c2ccncc2)c3c(C)onc3C

Name:

3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole

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).