BioLiP

PDB

BioLiP

PDB CCD ID:

LFI

Number of entries in BioLiP:

Chemical formula:

C12 H18 Br3 N3 O3

InChI:

InChI=1S/C12H18Br3N3O3/c13-4-1-10(19)16-7-17(11(20)2-5-14)9-18(8-16)12(21)3-6-15/h1-9H2

InChIKey:

UYNTZRFVDTZUQI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1N(CN(CN1C(=O)CCBr)C(=O)CCBr)C(=O)CCBr
CACTVS 3.385	BrCCC(=O)N1CN(CN(C1)C(=O)CCBr)C(=O)CCBr

Name:

1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one;
Chemical crosslinker

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).