BioLiP

PDB

BioLiP

PDB CCD ID:

A1L7P

Number of entries in BioLiP:

Chemical formula:

C24 H18 F3 N5 O2

InChI:

InChI=1S/C24H18F3N5O2/c1-14-6-18(10-28-9-14)32-23(33)29-22(30-12-16-4-2-3-5-17(16)13-30)31(24(32)34)11-15-7-19(25)21(27)20(26)8-15/h2-10H,11-13H2,1H3

InChIKey:

OSHILUBZOLSXOR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(cnc1)N2C(=O)N=C(N(C2=O)Cc3cc(c(c(c3)F)F)F)N4Cc5ccccc5C4
CACTVS 3.385	Cc1cncc(c1)N2C(=O)N=C(N3Cc4ccccc4C3)N(Cc5cc(F)c(F)c(F)c5)C2=O

Name:

6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-1-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione

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).