BioLiP

PDB

BioLiP

PDB CCD ID:

69K

Number of entries in BioLiP:

Chemical formula:

C14 H14 F N O2

InChI:

InChI=1S/C14H14FNO2/c1-3-10-7-12(17)14(8-11(10)15)18-13-5-4-6-16-9(13)2/h4-8,17H,3H2,1-2H3

InChIKey:

VHXDJFGLVVJBNS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CCc1cc(c(cc1F)Oc2cccnc2C)O
CACTVS 3.385	CCc1cc(O)c(Oc2cccnc2C)cc1F
ACDLabs 12.01	Cc1ncccc1Oc2cc(F)c(cc2O)CC

Name:

5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol

ZINC:

ZINC000584904870

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).