BioLiP

PDB

BioLiP

PDB CCD ID:

OYD

Number of entries in BioLiP:

Chemical formula:

C12 H20 N4 O3

InChI:

InChI=1S/C12H20N4O3/c1-2-6-13-9-10(14-7-4-3-5-8-17)15-12(19)16-11(9)18/h6,17H,2-5,7-8H2,1H3,(H3,14,15,16,18,19)/b13-6+

InChIKey:

ZKFUQHLXTDAXLG-AWNIVKPZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC=NC1=C(NCCCCCO)NC(=O)NC1=O
OpenEye OEToolkits 2.0.7	CCC=NC1=C(NC(=O)NC1=O)NCCCCCO
OpenEye OEToolkits 2.0.7	CC/C=N/C1=C(NC(=O)NC1=O)NCCCCCO
ACDLabs 12.01	C=1(NCCCCCO)NC(NC(C=1N=[C@H]CC)=O)=O

Name:

6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]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).