BioLiP

PDB

BioLiP

PDB CCD ID:

JRB

Number of entries in BioLiP:

Chemical formula:

C10 H15 N3

InChI:

InChI=1S/C10H15N3/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8,11H2

InChIKey:

TZWRXFPFRACRLO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1c(c(ccc1)N2CCNCC2)N
OpenEye OEToolkits 1.7.6	c1ccc(c(c1)N)N2CCNCC2
CACTVS 3.385	Nc1ccccc1N2CCNCC2

Name:

2-PIPERAZIN-1-YL-ANILINE

ZINC:

ZINC000001865784

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).