SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C14 H16 N2 O4

InChI:

InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)

InChIKey:

SPJAGILXQBHHSZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1C(=CN(C(=O)N1)COCCO)Cc2ccccc2
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO
CACTVS 3.341	OCCOCN1C=C(Cc2ccccc2)C(=O)NC1=O

Name:

1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE

ChEMBL:

DrugBank:

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).