BioLiP

PDB

BioLiP

PDB CCD ID:

A1D5M

Number of entries in BioLiP:

Chemical formula:

C19 H16 F2 O4

InChI:

InChI=1S/C19H16F2O4/c20-19(21)25-15-6-4-13(8-18(15)23-10-11-1-2-11)16-7-12-3-5-14(22)9-17(12)24-16/h3-9,11,19,22H,1-2,10H2

InChIKey:

ZEGKNTXODOVPOI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc2cc(oc2c1)c3ccc(OC(F)F)c(OCC4CC4)c3
OpenEye OEToolkits 2.0.7	c1cc(cc2c1cc(o2)c3ccc(c(c3)OCC4CC4)OC(F)F)O

Name:

2-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]-1-benzofuran-6-ol

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).