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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: 13F
Number of entries in BioLiP: 1
Chemical formula: C15 H15 N3 O3 S
InChI: InChI=1S/C15H15N3O3S/c1-18-10-11-9-13(7-8-14(11)16-15(18)19)22(20,21)17-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,16,19)
InChIKey: MUQCGKPYCUDNMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CN1Cc2cc(ccc2NC1=O)[S](=O)(=O)Nc3ccccc3
OpenEye OEToolkits 1.7.6CN1Cc2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3
ACDLabs 12.01O=S(=O)(c1ccc2NC(=O)N(Cc2c1)C)Nc3ccccc3
Name:3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
ChEMBL: CHEMBL2179384
ZINC: ZINC000095574451

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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