BioLiP

PDB

BioLiP

PDB CCD ID:

ZM6

Number of entries in BioLiP:

Chemical formula:

C16 H19 Cl2 N3 O2

InChI:

InChI=1S/C16H19Cl2N3O2/c17-13-4-3-12(9-14(13)18)15(22)20-5-7-21(8-6-20)16(23)19-10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,19,23)

InChIKey:

DPRJGBYDJHMEPY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl)Cl
CACTVS 3.385	Clc1ccc(cc1Cl)C(=O)N2CCN(CC2)C(=O)NCC3CC3
ACDLabs 12.01	O=C(NCC1CC1)N1CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1

Name:

N-(cyclopropylmethyl)-4-(3,4-dichlorobenzoyl)piperazine-1-carboxamide

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).