BioLiP

PDB

BioLiP

PDB CCD ID:

RJ2

Number of entries in BioLiP:

Chemical formula:

C17 H17 N3 O

InChI:

InChI=1S/C17H17N3O/c1-2-16-15(4-10-21-16)11-13(1)14-3-5-19-17(12-14)20-8-6-18-7-9-20/h1-5,10-12,18H,6-9H2

InChIKey:

BRUNUGURQIJSRJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C1CN(CCN1)c2cc(ccn2)c3ccc4occc4c3
OpenEye OEToolkits 2.0.7	c1cc2c(cco2)cc1c3ccnc(c3)N4CCNCC4

Name:

1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine

ChEMBL:

CHEMBL5085033

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).