BioLiP

PDB

BioLiP

PDB CCD ID:

A1ED9

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O

InChI:

InChI=1S/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3

InChIKey:

KHHSXHXUQVNBGA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)c1c[nH]cc1
OpenEye OEToolkits 2.0.7	CC(=O)c1cc[nH]c1

Name:

1-(1H-pyrrol-3-yl)ethanone;
3-Acetylpyrrole

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).