BioLiP

PDB

BioLiP

PDB CCD ID:

A1ISF

Number of entries in BioLiP:

Chemical formula:

C14 H16 O

InChI:

InChI=1S/C14H16O/c15-14(10-5-2-6-11-14)12-9-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,10-11H2

InChIKey:

LBEMYSKBSYEVAG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C#CC2(CCCCC2)O
CACTVS 3.385	OC1(CCCCC1)C#Cc2ccccc2

Name:

1-(2-phenylethynyl)cyclohexan-1-ol

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).