BioLiP

PDB

BioLiP

PDB CCD ID:

EBM

Number of entries in BioLiP:

Chemical formula:

C10 H12 I N O

InChI:

InChI=1S/C10H12INO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13)

InChIKey:

PSGIDUPRPSJZRV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352 OpenEye OEToolkits 1.7.0	CC(C)NC(=O)c1ccccc1I

Name:

2-iodo-N-(1-methylethyl)benzamide

ZINC:

ZINC000000288523

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).