BioLiP

PDB

BioLiP

PDB CCD ID:

CW2

Number of entries in BioLiP:

Chemical formula:

C12 H20 Cl4 N2 O2

InChI:

InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)

InChIKey:

FAOMZVDZARKPFJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(Cl)(C(=O)NCCCCCCCCNC(=O)C(Cl)Cl)Cl
CACTVS 3.385	ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl
OpenEye OEToolkits 2.0.6	C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl

Name:

N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide)

ChEMBL:

CHEMBL3276621

ZINC:

ZINC000006845427

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).