BioLiP

PDB

BioLiP

PDB CCD ID:

GT7

Number of entries in BioLiP:

Chemical formula:

C9 H14 N2 O

InChI:

InChI=1S/C9H14N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-6H2,(H,11,12)

InChIKey:

RURWLUVLDBYUEN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1CCC(CC1)NC(=O)CC#N
CACTVS 3.385	O=C(CC#N)NC1CCCCC1

Name:

2-cyano-~{N}-cyclohexyl-ethanamide

ZINC:

ZINC000000091989

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).