BioLiP

PDB

BioLiP

PDB CCD ID:

NYH

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O2

InChI:

InChI=1S/C6H9NO2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2

InChIKey:

DJBRXNRKYAWTBL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1CCC(=CC1)[N+](=O)[O-]
ACDLabs 10.04 CACTVS 3.341	[O-][N+](=O)C1=CCCCC1

Name:

1-nitrocyclohexene

ZINC:

ZINC000004528664

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).