BioLiP

PDB

BioLiP

PDB CCD ID:

4WF

Number of entries in BioLiP:

Chemical formula:

C11 H11 N3 O3

InChI:

InChI=1S/C11H11N3O3/c12-8-9(15)13-11(17)14(10(8)16)6-7-4-2-1-3-5-7/h1-5,16H,6,12H2,(H,13,15,17)

InChIKey:

HTIBHRPLOZXHDY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O
ACDLabs 12.01	O=C1C(=C(O)N(C(=O)N1)Cc2ccccc2)N
CACTVS 3.385	NC1=C(O)N(Cc2ccccc2)C(=O)NC1=O

Name:

5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione

ZINC:

ZINC000017083504

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).