BioLiP

PDB

BioLiP

PDB CCD ID:

DIX

Number of entries in BioLiP:

Chemical formula:

C9 H19 N

InChI:

InChI=1S/C9H19N/c1-10-8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3

InChIKey:

XQXPWKNEZKBRNQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	N(CCCC1CCCC1)C
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CNCCCC1CCCC1

Name:

METHYL(CYCLOPENTYL-PROPYL)AMINE

ZINC:

ZINC000008205016

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).