BioLiP

PDB

BioLiP

PDB CCD ID:

OFK

Number of entries in BioLiP:

Chemical formula:

C15 H12 N2 O

InChI:

InChI=1S/C15H12N2O/c1-11(18)14-10-13(12-6-3-2-4-7-12)15-16-8-5-9-17(14)15/h2-10H,1H3

InChIKey:

FPBCLTMMKANZAZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)c1cc(c2n1cccn2)c3ccccc3
CACTVS 3.385	CC(=O)c1cc(c2ccccc2)c3ncccn13

Name:

1-(8-phenylpyrrolo[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).