BioLiP

PDB

BioLiP

PDB CCD ID:

Q7P

Number of entries in BioLiP:

Chemical formula:

C11 H16 N4 O4

InChI:

InChI=1S/C11H16N4O4/c1-7(17)6-13-8-9(12-4-2-3-5-16)14-11(19)15-10(8)18/h6,16H,2-5H2,1H3,(H3,12,14,15,18,19)/b13-6+

InChIKey:

OCPAQIZKGXRILZ-AWNIVKPZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)C=NC1=C(NCCCCO)NC(=O)NC1=O
OpenEye OEToolkits 2.0.7	CC(=O)C=NC1=C(NC(=O)NC1=O)NCCCCO
OpenEye OEToolkits 2.0.7	CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCCO
ACDLabs 12.01	C1(NC(=O)C(/N=C/C(C)=O)=C(NCCCCO)N1)=O

Name:

6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-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).