BioLiP

PDB

BioLiP

PDB CCD ID:

96E

Number of entries in BioLiP:

Chemical formula:

C10 H23 N O2

InChI:

InChI=1S/C10H23NO2/c1-2-6-11(8-10-13)7-4-3-5-9-12/h12-13H,2-10H2,1H3

InChIKey:

XJBJEDGBRSPREH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCN(CCCCCO)CCO
CACTVS 3.385	CCCN(CCO)CCCCCO

Name:

5-[2-hydroxyethyl(propyl)amino]pentan-1-ol

ZINC:

ZINC000004578728

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).