BioLiP

PDB

BioLiP

PDB CCD ID:

96K

Number of entries in BioLiP:

Chemical formula:

C12 H27 N O

InChI:

InChI=1S/C12H27NO/c1-3-9-13(10-4-2)11-7-5-6-8-12-14/h14H,3-12H2,1-2H3

InChIKey:

NGLYVCQIAOHIJE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCCN(CCC)CCCCCCO

Name:

6-dipropylamino-1-hexanol

ZINC:

ZINC000001648968

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).