BioLiP

PDB

BioLiP

PDB CCD ID:

11J

Number of entries in BioLiP:

Chemical formula:

C19 H14 I N O

InChI:

InChI=1S/C19H14INO/c20-18-12-5-4-11-17(18)19(22)21-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H,(H,21,22)

InChIKey:

HKKUOXBTPBBQJA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3I
CACTVS 3.352	Ic1ccccc1C(=O)Nc2cccc(c2)c3ccccc3

Name:

N-biphenyl-3-yl-2-iodobenzamide

ZINC:

ZINC000064746563

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).