SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C17 H14 N2 O4

InChI:

InChI=1S/C17H14N2O4/c20-15-13(14(16(21)22)18-17(23)19-15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,21,22)(H2,18,19,20,23)

InChIKey:

SLNOQVWHLSWYRT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC(=O)C1=C(CCc2cccc3ccccc23)C(=O)NC(=O)N1
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O

Name:

5-[2-(naphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid

ChEMBL:

ZINC:

ZINC000098209554

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).