BioLiP

PDB

BioLiP

PDB CCD ID:

T3W

Number of entries in BioLiP:

Chemical formula:

C12 H8 I N3 O

InChI:

InChI=1S/C12H8IN3O/c13-9-3-1-8(2-4-9)10-7-16-11(15-10)5-6-14-12(16)17/h1-4,6-7H,5H2

InChIKey:

JYLKLWHWBQXQPC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2cn3c(n2)CC=NC3=O)I
CACTVS 3.385	Ic1ccc(cc1)c2cn3C(=O)N=CCc3n2

Name:

2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one

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).