BioLiP

PDB

BioLiP

PDB CCD ID:

LJ2

Number of entries in BioLiP:

Chemical formula:

C14 H10 Br2 O

InChI:

InChI=1S/C14H10Br2O/c15-12-8-11(9-13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-9,17H/b7-6+

InChIKey:

WMVYUPRIADVLTH-VOTSOKGWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)\C=C\c2cc(c(c(c2)Br)O)Br
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C=Cc2cc(c(c(c2)Br)O)Br
CACTVS 3.341	Oc1c(Br)cc(\C=C\c2ccccc2)cc1Br
ACDLabs 10.04	Brc1cc(cc(Br)c1O)\C=C\c2ccccc2
CACTVS 3.341	Oc1c(Br)cc(C=Cc2ccccc2)cc1Br

Name:

2,6-dibromo-4-[(E)-2-phenylethenyl]phenol;
3,5-Dibromo-4-hydroxystilbene

ChEMBL:

CHEMBL450995

DrugBank:

DB08101

ZINC:

ZINC000040836561

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).