BioLiP

PDB

BioLiP

PDB CCD ID:

W8Z

Number of entries in BioLiP:

Chemical formula:

C19 H18 N2 O6

InChI:

InChI=1S/C19H18N2O6/c1-26-10-27-15-9-12-5-3-2-4-11(12)8-13(15)6-7-14-16(18(23)24)20-19(25)21-17(14)22/h2-5,8-9H,6-7,10H2,1H3,(H,23,24)(H2,20,21,22,25)

InChIKey:

UIWLSMYBMFEGSE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(O)=O
ACDLabs 12.01	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccccc2cc3OCOC
OpenEye OEToolkits 1.7.6	COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O

Name:

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

ChEMBL:

CHEMBL3991250

ZINC:

ZINC000098209574

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).