BioLiP

PDB

BioLiP

PDB CCD ID:

ZP8

Number of entries in BioLiP:

Chemical formula:

C9 H13 N3 O2

InChI:

InChI=1S/C9H13N3O2/c10-4-1-8(13)12-5-2-7(3-6-12)9(11)14/h7H,1-3,5-6H2,(H2,11,14)

InChIKey:

QDZGVYBBITWTIU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CN(CCC1C(=O)N)C(=O)CC#N
CACTVS 3.385	NC(=O)C1CCN(CC1)C(=O)CC#N

Name:

1-(2-cyanoethanoyl)piperidine-4-carboxamide

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).