BioLiP

PDB

BioLiP

PDB CCD ID:

ZC9

Number of entries in BioLiP:

Chemical formula:

C8 H6 F N3

InChI:

InChI=1S/C8H6FN3/c9-6-1-2-7(10-5-6)8-3-4-11-12-8/h1-5H,(H,11,12)

InChIKey:

ADBMBWBQQBJNNZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ncc1F)c2ccn[nH]2
ACDLabs 12.01	Fc1cnc(cc1)c1ccn[NH]1
CACTVS 3.385	Fc1ccc(nc1)c2[nH]ncc2

Name:

(2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine

ZINC:

ZINC000143636950

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).