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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: QID
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)S(=O)(=O)c2ccc3c(c2)C(=O)N(C(=O)N3)O
ACDLabs 12.01O=S(=O)(c2ccc1c(C(=O)N(O)C(=O)N1)c2)c3ccccc3
CACTVS 3.370ON1C(=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, Peter L 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).
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