BioLiP

PDB

BioLiP

PDB CCD ID:

SQT

Number of entries in BioLiP:

Chemical formula:

C16 H19 N5

InChI:

InChI=1S/C16H19N5/c17-16(18)13-6-7-15(19-12-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H3,17,18)

InChIKey:

UKIJUFIFFKYHSH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	[H]/N=C(\c1ccc(nc1)N2CCN(CC2)c3ccccc3)/N
ACDLabs 12.01	N=C(N)c1cnc(cc1)N1CCN(CC1)c1ccccc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N2CCN(CC2)c3ccc(cn3)C(=N)N
CACTVS 3.385	NC(=N)c1ccc(nc1)N2CCN(CC2)c3ccccc3

Name:

6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide

ZINC:

ZINC000019507343

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).