SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C10 H16 N2 O3

InChI:

InChI=1S/C10H16N2O3/c1-7(2)6-15-9-5-8(13)11(3)10(14)12(9)4/h5,7H,6H2,1-4H3

InChIKey:

NBDGERYKSQRETJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)COC1=CC(=O)N(C)C(=O)N1C
ACDLabs 12.01	CC(COC=1N(C(=O)N(C(C=1)=O)C)C)C
OpenEye OEToolkits 2.0.4	CC(C)COC1=CC(=O)N(C(=O)N1C)C

Name:

1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione

ChEMBL:

ZINC:

ZINC000584904749

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).