BioLiP

PDB

BioLiP

PDB CCD ID:

7JW

Number of entries in BioLiP:

Chemical formula:

C14 H9 F N2 O

InChI:

InChI=1S/C14H9FN2O/c15-11-3-1-9(2-4-11)10-7-12-14(13(18)8-10)17-6-5-16-12/h1-8,18H

InChIKey:

YJDUBGAXILBNCU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc(cc2nccnc12)c3ccc(F)cc3
OpenEye OEToolkits 2.0.6	c1cc(ccc1c2cc3c(c(c2)O)nccn3)F

Name:

7-(4-fluorophenyl)quinoxalin-5-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).