BioLiP

PDB

BioLiP

PDB CCD ID:

2G3

Number of entries in BioLiP:

Chemical formula:

C6 H15 N

InChI:

InChI=1S/C6H15N/c1-6(2,3)4-5-7/h4-5,7H2,1-3H3

InChIKey:

GPWHFPWZAPOYNO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NCCC(C)(C)C
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CC(C)(C)CCN

Name:

3,3-dimethylbutan-1-amine

ZINC:

ZINC000006661317

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).