BioLiP

PDB

BioLiP

PDB CCD ID:

JWE

Number of entries in BioLiP:

Chemical formula:

C13 H8 Br F N4

InChI:

InChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18)

InChIKey:

KARJFNUGCLEZKM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(nc2c1c(cnc2N)Br)c3ccnc(c3)F
CACTVS 3.385	Nc1ncc(Br)c2ccc(nc12)c3ccnc(F)c3

Name:

5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine

ChEMBL:

CHEMBL4471729

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).