BioLiP

PDB

BioLiP

PDB CCD ID:

OF8

Number of entries in BioLiP:

Chemical formula:

C14 H11 N3 O

InChI:

InChI=1S/C14H11N3O/c1-10(18)13-9-11(12-5-2-3-6-15-12)14-16-7-4-8-17(13)14/h2-9H,1H3

InChIKey:

LNUJODOPWTZPCA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)c1cc(c2n1cccn2)c3ccccn3
CACTVS 3.385	CC(=O)c1cc(c2ccccn2)c3ncccn13

Name:

1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone

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).