BioLiP

PDB

BioLiP

PDB CCD ID:

9H2

Number of entries in BioLiP:

Chemical formula:

C11 H9 I2 N O2

InChI:

InChI=1S/C11H9I2NO2/c12-8-5-7(6-15)11(16)9(13)10(8)14-3-1-2-4-14/h1-5,15-16H,6H2

InChIKey:

AGXLMIQMLKHIFZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCc1cc(I)c(n2cccc2)c(I)c1O
OpenEye OEToolkits 2.0.6	c1ccn(c1)c2c(cc(c(c2I)O)CO)I

Name:

6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol

ChEMBL:

CHEMBL4172014

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).