BioLiP

PDB

BioLiP

PDB CCD ID:

JSF

Number of entries in BioLiP:

Chemical formula:

C20 H17 N5 O

InChI:

InChI=1S/C20H17N5O/c1-13-8-9-14(2)21-18(13)19(26)23-17-10-11-25-12-16(22-20(25)24-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,23,24,26)

InChIKey:

PLVHLXWZSDKRMA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc(nc1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)C
ACDLabs 12.01	Cc1ccc(C)nc1C(=O)Nc1nc2nc(cn2cc1)c1ccccc1
CACTVS 3.385	Cc1ccc(C)c(n1)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4

Name:

3,6-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carboxamide

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).