BioLiP

PDB

BioLiP

PDB CCD ID:

5UW

Number of entries in BioLiP:

Chemical formula:

C20 H26 N2

InChI:

InChI=1S/C20H26N2/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)13-16-22-19-11-14-21-15-12-19/h1-10,19-22H,11-16H2

InChIKey:

XSQZAMQEHSISJA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1ccc(cc1)C(CCNC2CCNCC2)c3ccccc3
CACTVS 3.385	C1CC(CCN1)NCCC(c2ccccc2)c3ccccc3

Name:

~{N}-(3,3-diphenylpropyl)piperidin-4-amine

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).