BioLiP

PDB

BioLiP

PDB CCD ID:

Q0J

Number of entries in BioLiP:

Chemical formula:

C19 H14 F N3

InChI:

InChI=1S/C19H14FN3/c1-13-2-7-17-18(14-8-10-21-11-9-14)19(22-23(17)12-13)15-3-5-16(20)6-4-15/h2-12H,1H3

InChIKey:

DLJKUEGEDDMTMQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc2n(c1)nc(c3ccc(F)cc3)c2c4ccncc4
ACDLabs 12.01	c1c(C)ccc2n1nc(c2c3ccncc3)c4ccc(cc4)F
OpenEye OEToolkits 2.0.7	Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccncc4

Name:

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

ChEMBL:

CHEMBL487581

ZINC:

ZINC000040423352

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).