BioLiP

PDB

BioLiP

PDB CCD ID:

A1LZJ

Number of entries in BioLiP:

Chemical formula:

C26 H23 F N6

InChI:

InChI=1S/C26H23FN6/c1-16-2-4-17(5-3-16)22-23(18-6-7-19(15-28)21(27)14-18)32-26(25-24(22)30-10-11-31-25)33-12-8-20(29)9-13-33/h2-7,10-11,14,20H,8-9,12-13,29H2,1H3

InChIKey:

BISBXLFNGMDQKO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc(cc1)c2c(nc(N3CCC(N)CC3)c4nccnc24)c5ccc(C#N)c(F)c5
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)c2c3c(c(nc2c4ccc(c(c4)F)C#N)N5CCC(CC5)N)nccn3

Name:

4-[5-(4-azanylpiperidin-1-yl)-8-(4-methylphenyl)pyrido[3,4-b]pyrazin-7-yl]-2-fluoranyl-benzenecarbonitrile

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).