BioLiP

PDB

BioLiP

PDB CCD ID:

ZUC

Number of entries in BioLiP:

Chemical formula:

C13 H11 F N2 O2

InChI:

InChI=1S/C13H11FN2O2/c1-8-3-2-4-11(17)12(8)16-13(18)9-5-6-15-7-10(9)14/h2-7,17H,1H3,(H,16,18)

InChIKey:

PDGRBWXZTBUJKY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc(O)c1NC(=O)c2ccncc2F
ACDLabs 12.01	O=C(Nc1c(C)cccc1O)c1ccncc1F
OpenEye OEToolkits 2.0.7	Cc1cccc(c1NC(=O)c2ccncc2F)O

Name:

3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide

ZINC:

ZINC000097233745

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).