BioLiP

PDB

BioLiP

PDB CCD ID:

FL9

Number of entries in BioLiP:

Chemical formula:

C15 H8 Br2 O6

InChI:

InChI=1S/C15H8Br2O6/c16-7-1-5(13(20)12(17)14(7)21)2-10-15(22)11-8(19)3-6(18)4-9(11)23-10/h1-4,18-21H/b10-2-

InChIKey:

BRPKBUNFOZFULQ-SGAXSIHGSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Oc1cc(O)c2C(=O)C(Oc2c1)=Cc3cc(Br)c(O)c(Br)c3O
ACDLabs 10.04	Brc1cc(c(O)c(Br)c1O)\C=C3/Oc2cc(O)cc(O)c2C3=O
OpenEye OEToolkits 1.5.0	c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O
CACTVS 3.341	Oc1cc(O)c2C(=O)\C(Oc2c1)=C\c3cc(Br)c(O)c(Br)c3O

Name:

3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE

DrugBank:

DB07775

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).