BioLiP

PDB

BioLiP

PDB CCD ID:

61V

Number of entries in BioLiP:

Chemical formula:

C19 H21 I N2 O

InChI:

InChI=1S/C19H21IN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)

InChIKey:

HELCSESNNDZLFM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1ccc(cc1)CN2CCC(CC2)NC(=O)c3ccc(cc3)I
CACTVS 3.385	Ic1ccc(cc1)C(=O)NC2CCN(CC2)Cc3ccccc3
ACDLabs 12.01	C1C(CCN(C1)Cc2ccccc2)NC(c3ccc(I)cc3)=O

Name:

N-(1-benzylpiperidin-4-yl)-4-iodobenzamide

ChEMBL:

CHEMBL50112

ZINC:

ZINC000001642602

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).