BioLiP

PDB

BioLiP

PDB CCD ID:

QTH

Number of entries in BioLiP:

Chemical formula:

C22 H23 N2

InChI:

InChI=1S/C22H23N2/c1-2-6-20(7-3-1)21-10-8-19(9-11-21)18-23-16-12-22(13-17-23)24-14-4-5-15-24/h1-3,6-13,16-17H,4-5,14-15,18H2/q+1

InChIKey:

XOUNRIZMFAXTRS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccc(cc2)C[n+]3ccc(cc3)N4CCCC4
CACTVS 3.385	C1CCN(C1)c2cc[n+](Cc3ccc(cc3)c4ccccc4)cc2

Name:

1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine

ChEMBL:

CHEMBL4802640

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).