BioLiP

PDB

BioLiP

PDB CCD ID:

0L8

Number of entries in BioLiP:

Chemical formula:

C17 H13 Br O3

InChI:

InChI=1S/C17H13BrO3/c18-16-8-11(9-19)7-15(13-5-6-21-10-13)17(16)12-1-3-14(20)4-2-12/h1-8,10,19-20H,9H2

InChIKey:

VXUYUWOEWFNCIK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(ccc1c2c(cc(cc2Br)CO)c3ccoc3)O
CACTVS 3.370	OCc1cc(Br)c(c2ccc(O)cc2)c(c1)c3cocc3
ACDLabs 12.01	Brc1cc(cc(c1c2ccc(O)cc2)c3ccoc3)CO

Name:

2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol

ZINC:

ZINC000035876270

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).