BioLiP

PDB

BioLiP

PDB CCD ID:

1ZQ

Number of entries in BioLiP:

Chemical formula:

C17 H11 F2 N O2

InChI:

InChI=1S/C17H11F2NO2/c18-12-5-1-10(2-6-12)14-9-15(21)17(22)20-16(14)11-3-7-13(19)8-4-11/h1-9,21H,(H,20,22)

InChIKey:

CIZBXDSIEHHRKM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc(c2ccc(F)cc2)c(nc1O)c3ccc(F)cc3
ACDLabs 12.01	Fc3ccc(c2nc(O)c(O)cc2c1ccc(F)cc1)cc3
OpenEye OEToolkits 1.7.6	c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F

Name:

5,6-bis(4-fluorophenyl)pyridine-2,3-diol

ChEMBL:

CHEMBL2443233

ZINC:

ZINC000095920749

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).