BioLiP

PDB

BioLiP

PDB CCD ID:

B0K

Number of entries in BioLiP:

Chemical formula:

C10 H9 Br4 N3

InChI:

InChI=1S/C10H9Br4N3/c11-5-6(12)8(14)10-9(7(5)13)16-4-17(10)3-1-2-15/h4H,1-3,15H2

InChIKey:

ZSGVCOITZQLDSD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1nc2c(n1CCCN)c(c(c(c2Br)Br)Br)Br
CACTVS 3.385	NCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12

Name:

3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine

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).