BioLiP

PDB

BioLiP

PDB CCD ID:

BAC

Number of entries in BioLiP:

Chemical formula:

C8 H8 I N O

InChI:

InChI=1S/C8H8INO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4,6H,5H2,(H,10,11)

InChIKey:

FZYBUJWPYZVGKV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Ic1ccc(cc1)CNC=O
CACTVS 3.341	Ic1ccc(CNC=O)cc1
OpenEye OEToolkits 1.5.0	c1cc(ccc1CNC=O)I

Name:

N-(4-IODO-BENZYL)-FORMAMIDE

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).