BioLiP

PDB

BioLiP

PDB CCD ID:

PBO

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O

InChI:

InChI=1S/C9H11NO/c1-2-4-9(11)8-5-3-6-10-7-8/h3,5-7H,2,4H2,1H3

InChIKey:

JORUAYHMUWRFNM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCC(=O)c1cccnc1
ACDLabs 10.04	O=C(c1cccnc1)CCC

Name:

1-PYRIDIN-3-YLBUTAN-1-ONE

ZINC:

ZINC000005972858

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).