BioLiP

PDB

BioLiP

PDB CCD ID:

7V7

Number of entries in BioLiP:

Chemical formula:

C22 H28 N2 O

InChI:

InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3

InChIKey:

PJMPHNIQZUBGLI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3
OpenEye OEToolkits 2.0.6	CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3
ACDLabs 12.01	C2CC(N(c1ccccc1)C(CC)=O)CCN2CCc3ccccc3

Name:

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

ChEMBL:

CHEMBL596

DrugBank:

DB00813

ZINC:

ZINC000002522669

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).