BioLiP

PDB

BioLiP

PDB CCD ID:

A1IA6

Number of entries in BioLiP:

Chemical formula:

C15 H10 N2 O4

InChI:

InChI=1S/C15H10N2O4/c18-12-11(15(20)21)16-13(17-14(12)19)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,18H,(H,20,21)(H,16,17,19)

InChIKey:

HQQIELXMZFSTOA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)C1=C(O)C(=O)NC(=N1)c2ccc3ccccc3c2
OpenEye OEToolkits 2.0.7	c1ccc2cc(ccc2c1)C3=NC(=C(C(=O)N3)O)C(=O)O

Name:

2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid

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).