BioLiP

PDB

BioLiP

PDB CCD ID:

S1V

Number of entries in BioLiP:

Chemical formula:

C8 H12 N2 O

InChI:

InChI=1S/C8H12N2O/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-5H2,1H3

InChIKey:

NFDGRMQIOHRQHF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(=O)N1CCC(CC1)C#N

Name:

1-ethanoylpiperidine-4-carbonitrile

ZINC:

ZINC000000165539

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).