BioLiP

PDB

BioLiP

PDB CCD ID:

R06

Number of entries in BioLiP:

Chemical formula:

C9 H12 Cl3 N3 O3

InChI:

InChI=1S/C9H12Cl3N3O3/c10-1-7(16)13-4-14(8(17)2-11)6-15(5-13)9(18)3-12/h1-6H2

InChIKey:

FIABSBGSWCLPPP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	C1N(CN(CN1C(=O)CCl)C(=O)CCl)C(=O)CCl
CACTVS 3.385	ClCC(=O)N1CN(CN(C1)C(=O)CCl)C(=O)CCl

Name:

1-[3,5-bis(2-chloranylethanoyl)-1,3,5-triazinan-1-yl]-2-chloranyl-ethanone

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).