BioLiP

PDB

BioLiP

PDB CCD ID:

9AB

Number of entries in BioLiP:

Chemical formula:

C15 H16 Br4 N2 O2

InChI:

InChI=1S/C15H16Br4N2O2/c16-10-11(17)13(19)15-14(12(10)18)20-8-21(15)7-5-3-1-2-4-6-9(22)23/h8H,1-7H2,(H,22,23)

InChIKey:

OTAXRRBXSSWBKI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12
OpenEye OEToolkits 2.0.6	c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br

Name:

8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid

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).