BioLiP

PDB

BioLiP

PDB CCD ID:

YGS

Number of entries in BioLiP:

Chemical formula:

C10 H12

InChI:

InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3

InChIKey:

MXTNFIYGTWARIN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=C)Cc1ccccc1

Name:

(2-methylprop-2-en-1-yl)benzene

ZINC:

ZINC000002027307

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).