BioLiP

PDB

BioLiP

PDB CCD ID:

392

Number of entries in BioLiP:

Chemical formula:

C17 H19 Cl2 N3 O2

InChI:

InChI=1S/C17H19Cl2N3O2/c18-13-8-12(9-14(19)10-13)11-20-6-3-7-21-17(24)22-15-4-1-2-5-16(15)23/h1-2,4-5,8-10,20,23H,3,6-7,11H2,(H2,21,22,24)

InChIKey:

ZTLHNGCVRZQIRX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1ccc(c(c1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl)O
ACDLabs 12.01	Clc1cc(cc(Cl)c1)CNCCCNC(=O)Nc2ccccc2O
CACTVS 3.370	Oc1ccccc1NC(=O)NCCCNCc2cc(Cl)cc(Cl)c2

Name:

1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea

ChEMBL:

CHEMBL2159525

ZINC:

ZINC000095580654

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).