BioLiP

PDB

BioLiP

PDB CCD ID:

5PT

Number of entries in BioLiP:

Chemical formula:

C21 H16 F2 N2 O2

InChI:

InChI=1S/C21H16F2N2O2/c1-13-5-2-3-8-18(13)25-21(27)17-7-4-6-16(19(17)23)20(26)24-15-11-9-14(22)10-12-15/h2-12H,1H3,(H,24,26)(H,25,27)

InChIKey:

SMISTEYAZXJEGY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccccc1NC(=O)c2cccc(c2F)C(=O)Nc3ccc(cc3)F
CACTVS 3.385	Cc1ccccc1NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2F

Name:

2-fluoranyl-N1-(4-fluorophenyl)-N3-(2-methylphenyl)benzene-1,3-dicarboxamide

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).