BioLiP

PDB

BioLiP

PDB CCD ID:

KQ9

Number of entries in BioLiP:

Chemical formula:

C7 H16 N2

InChI:

InChI=1S/C7H16N2/c1-9(2)6-7(8)4-3-5-7/h3-6,8H2,1-2H3

InChIKey:

OMTAOOUFJIYVKU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)CC1(CCC1)N
CACTVS 3.385	CN(C)CC1(N)CCC1

Name:

1-[(dimethylamino)methyl]cyclobutan-1-amine

ZINC:

ZINC000088051686

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).