BioLiP

PDB

BioLiP

PDB CCD ID:

BZ0

Number of entries in BioLiP:

Chemical formula:

C18 H16 N4 O3

InChI:

InChI=1S/C18H16N4O3/c19-15-14(20-16(23)13-9-5-2-6-10-13)17(24)21-18(25)22(15)11-12-7-3-1-4-8-12/h1-10H,11,19H2,(H,20,23)(H,21,24,25)

InChIKey:

DBKMVZKVOWRXSU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(c1ccccc1)NC2=C(N)N(C(=O)NC2=O)Cc3ccccc3
CACTVS 3.385	NC1=C(NC(=O)c2ccccc2)C(=O)NC(=O)N1Cc3ccccc3
OpenEye OEToolkits 1.9.2	c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N

Name:

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

ZINC:

ZINC000095920861

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).