BioLiP

PDB

BioLiP

PDB CCD ID:

9JW

Number of entries in BioLiP:

Chemical formula:

C19 H13 F2 N O2

InChI:

InChI=1S/C19H13F2NO2/c1-11(12-8-9-14(20)18(24)10-12)15-5-3-6-16(22-15)13-4-2-7-17(23)19(13)21/h2-10,23-24H,1H2

InChIKey:

LSHVGZUGKOCADJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C=C(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O
CACTVS 3.385	Oc1cc(ccc1F)C(=C)c2cccc(n2)c3cccc(O)c3F

Name:

2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol

ChEMBL:

CHEMBL4175585

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).