BioLiP

PDB

BioLiP

PDB CCD ID:

N1M

Number of entries in BioLiP:

Chemical formula:

C8 H8 I N O

InChI:

InChI=1S/C8H8INO/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,1H3,(H,10,11)

InChIKey:

XVZYFJIGUQHFSR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352 OpenEye OEToolkits 1.7.0	CNC(=O)c1ccccc1I

Name:

2-iodo-N-methylbenzamide

ZINC:

ZINC000000173184

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).