BioLiP

PDB

BioLiP

PDB CCD ID:

N5Y

Number of entries in BioLiP:

Chemical formula:

C19 H18 N4 O3

InChI:

InChI=1S/C19H18N4O3/c1-22(18(25)14-10-6-3-7-11-14)15-16(20)23(19(26)21-17(15)24)12-13-8-4-2-5-9-13/h2-11H,12,20H2,1H3,(H,21,24,26)

InChIKey:

SVEXWTOZCLVIEL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C(=O)c1ccccc1)C2=C(N)N(Cc3ccccc3)C(=O)NC2=O
ACDLabs 12.01	O=C(c1ccccc1)N(C2=C(N)N(C(=O)NC2=O)Cc3ccccc3)C
OpenEye OEToolkits 1.9.2	CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)C(=O)c3ccccc3

Name:

N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzamide

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).