BioLiP

PDB

BioLiP

PDB CCD ID:

A1IZU

Number of entries in BioLiP:

Chemical formula:

C20 H18 N4 O2

InChI:

InChI=1S/C20H18N4O2/c1-12-11-14(16-5-4-9-24-10-8-21-18(16)24)6-7-15(12)17-13(2)19(25)22-20(26)23(17)3/h4-11H,1-3H3,(H,22,25,26)

InChIKey:

XXHWLMSGTGVHDA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1C(=O)NC(=O)C(=C1c2ccc(cc2C)c3cccn4ccnc34)C
OpenEye OEToolkits 2.0.7	Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)c3cccn4c3ncc4

Name:

6-(4-imidazo[1,2-a]pyridin-8-yl-2-methyl-phenyl)-1,5-dimethyl-pyrimidine-2,4-dione

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).