BioLiP

PDB

BioLiP

PDB CCD ID:

IU9

Number of entries in BioLiP:

Chemical formula:

C13 H9 Cl F N O Se

InChI:

InChI=1S/C13H9ClFNOSe/c14-10-7-8(15)5-6-11(10)16-13(17)9-3-1-2-4-12(9)18/h1-7,18H,(H,16,17)

InChIKey:

FAXAPSRLOFVXJE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C(=O)Nc2ccc(cc2Cl)F)[SeH]
CACTVS 3.385	Fc1ccc(NC(=O)c2ccccc2[SeH])c(Cl)c1

Name:

N-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide

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).