BioLiP

PDB

BioLiP

PDB CCD ID:

QID

Number of entries in BioLiP:

Chemical formula:

C14 H10 N2 O5 S

InChI:

InChI=1S/C14H10N2O5S/c17-13-11-8-10(6-7-12(11)15-14(18)16(13)19)22(20,21)9-4-2-1-3-5-9/h1-8,19H,(H,15,18)

InChIKey:

OWPKYKLZQGFBAE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)S(=O)(=O)c2ccc3c(c2)C(=O)N(C(=O)N3)O
ACDLabs 12.01	O=S(=O)(c2ccc1c(C(=O)N(O)C(=O)N1)c2)c3ccccc3
CACTVS 3.370	ON1C(=O)Nc2ccc(cc2C1=O)[S](=O)(=O)c3ccccc3

Name:

3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione

ZINC:

ZINC000066166411

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).