BioLiP

PDB

BioLiP

PDB CCD ID:

A1H95

Number of entries in BioLiP:

Chemical formula:

C11 H17 N3

InChI:

InChI=1S/C11H17N3/c1-9-4-3-5-11(13-9)14-7-6-12-10(2)8-14/h3-5,10,12H,6-8H2,1-2H3/t10-/m1/s1

InChIKey:

YCMYTWGABUXSEI-SNVBAGLBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cccc(n1)N2CCNC(C2)C
CACTVS 3.385	C[CH]1CN(CCN1)c2cccc(C)n2
CACTVS 3.385	C[C@@H]1CN(CCN1)c2cccc(C)n2
OpenEye OEToolkits 2.0.7	Cc1cccc(n1)N2CCN[C@@H](C2)C

Name:

(3~{R})-3-methyl-1-(6-methylpyridin-2-yl)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).