BioLiP

PDB

BioLiP

PDB CCD ID:

QI1

Number of entries in BioLiP:

Chemical formula:

C18 H20 Cl2 N2 O2

InChI:

InChI=1S/C18H20Cl2N2O2/c19-16-7-3-14(4-8-16)12-22(11-1-2-18(23)21-24)13-15-5-9-17(20)10-6-15/h3-10,24H,1-2,11-13H2,(H,21,23)

InChIKey:

DFRQCUSEVBJDPJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	ONC(=O)CCCN(Cc1ccc(Cl)cc1)Cc2ccc(Cl)cc2
ACDLabs 12.01	Clc1ccc(cc1)CN(Cc2ccc(Cl)cc2)CCCC(=O)NO
OpenEye OEToolkits 1.7.0	c1cc(ccc1CN(CCCC(=O)NO)Cc2ccc(cc2)Cl)Cl

Name:

4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide

ZINC:

ZINC000066166408

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).