BioLiP

PDB

BioLiP

PDB CCD ID:

9AH

Number of entries in BioLiP:

Chemical formula:

C10 H20 N2

InChI:

InChI=1S/C10H20N2/c1-3-8-12(9-4-2)10-6-5-7-11/h3-6,8-10H2,1-2H3

InChIKey:

FLJPZKPNJVGMHO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCCN(CCC)CCCC#N

Name:

4-(dipropylamino)butanenitrile

ZINC:

ZINC000001635578

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).