BioLiP

PDB

BioLiP

PDB CCD ID:

A1A3T

Number of entries in BioLiP:

Chemical formula:

C9 H16 N4

InChI:

InChI=1S/C9H16N4/c1-12-7-9(6-11-12)8-13-4-2-10-3-5-13/h6-7,10H,2-5,8H2,1H3

InChIKey:

QQINQSPEYDVMCD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cn1cc(cn1)CN2CCNCC2
ACDLabs 14.52 CACTVS 3.385	Cn1cc(CN2CCNCC2)cn1

Name:

1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperazine

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).