BioLiP

PDB

BioLiP

PDB CCD ID:

A1LU8

Number of entries in BioLiP:

Chemical formula:

C21 H18 F2 N2 O2

InChI:

InChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2

InChIKey:

YUYJEQHNWKQNBT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1c(F)cc(cc1F)c2cnccc2c3ccc(cc3)N4CCOCC4
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2ccncc2c3cc(c(c(c3)F)O)F)N4CCOCC4

Name:

2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol

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).