BioLiP

PDB

BioLiP

PDB CCD ID:

5OR

Number of entries in BioLiP:

Chemical formula:

C13 H9 I N2 O2

InChI:

InChI=1S/C13H9IN2O2/c14-13-12(8-1-3-9(17)4-2-8)15-11-6-5-10(18)7-16(11)13/h1-7,17-18H

InChIKey:

YMNZZVKKQMNXQS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1cc(ccc1c2c(n3cc(ccc3n2)O)I)O
CACTVS 3.385	Oc1ccc(cc1)c2nc3ccc(O)cn3c2I

Name:

2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol

ZINC:

ZINC000584905036

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).