BioLiP

PDB

BioLiP

PDB CCD ID:

A1AJ9

Number of entries in BioLiP:

Chemical formula:

C9 H14 N4 O

InChI:

InChI=1S/C9H14N4O/c1-14-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3

InChIKey:

UWNRWWIRIZDKLH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COc1ccnc(n1)N2CCNCC2
ACDLabs 12.01	COc1nc(ncc1)N1CCNCC1

Name:

4-methoxy-2-(piperazin-1-yl)pyrimidine

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).