BioLiP

PDB

BioLiP

PDB CCD ID:

CYI

Number of entries in BioLiP:

Chemical formula:

C7 H11 N

InChI:

InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2

InChIKey:

XYZMOVWWVXBHDP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	[C-]#[N+]C1CCCCC1
ACDLabs 10.04	isocyanocyclohexane

Name:

CYCLOHEXYL ISOCYANIDE

ZINC:

ZINC000056871345

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).