BioLiP

PDB

BioLiP

PDB CCD ID:

FL8

Number of entries in BioLiP:

Chemical formula:

C16 H10 Br2 O4

InChI:

InChI=1S/C16H10Br2O4/c1-7-14(20)10-6-9(19)2-3-13(10)22-16(7)8-4-11(17)15(21)12(18)5-8/h2-6,19,21H,1H3

InChIKey:

GKDYOXMZSXVKPP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br
CACTVS 3.341	CC1=C(Oc2ccc(O)cc2C1=O)c3cc(Br)c(O)c(Br)c3
ACDLabs 10.04	Brc3cc(C=2Oc1ccc(O)cc1C(=O)C=2C)cc(Br)c3O

Name:

6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE

DrugBank:

DB01838

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).