BioLiP

PDB

BioLiP

PDB CCD ID:

A1BIO

Number of entries in BioLiP:

Chemical formula:

C19 H11 F N4

InChI:

InChI=1S/C19H11FN4/c20-16-4-2-15(3-5-16)19-18(14-7-9-22-10-8-14)17-6-1-13(11-21)12-24(17)23-19/h1-10,12H

InChIKey:

LQQPWBQKAOPXPO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	Fc1ccc(cc1)c1nn2cc(ccc2c1c1ccncc1)C#N
OpenEye OEToolkits 3.1.0.0	c1cc(ccc1c2c(c3ccc(cn3n2)C#N)c4ccncc4)F
CACTVS 3.385	Fc1ccc(cc1)c2nn3cc(ccc3c2c4ccncc4)C#N

Name:

2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine-6-carbonitrile

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).