BioLiP

PDB

BioLiP

PDB CCD ID:

DVK

Number of entries in BioLiP:

Chemical formula:

C10 H23 N3 O

InChI:

InChI=1S/C10H23N3O/c11-3-1-2-4-12-5-7-13(8-6-12)9-10-14/h14H,1-11H2

InChIKey:

TUKFFSGMQJSJQQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1CN(CCN1CCCCN)CCO
CACTVS 3.385	NCCCCN1CCN(CCO)CC1

Name:

2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol

ZINC:

ZINC000019794293

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).