BioLiP

PDB

BioLiP

PDB CCD ID:

V5I

Number of entries in BioLiP:

Chemical formula:

C11 H17 N

InChI:

InChI=1S/C11H17N/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7H,8,12H2,1-3H3

InChIKey:

HIPCYWMUINHLFM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NC(C)(C)Cc1ccccc1C
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1ccccc1CC(C)(C)N

Name:

2-methyl-1-(2-methylphenyl)propan-2-amine

ZINC:

ZINC000006071871

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).