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BioLiP

PDB CCD ID: EM0
Number of entries in BioLiP: 1
Chemical formula: C16 H16 F N3 O3 S
InChI: InChI=1S/C16H16FN3O3S/c1-10-7-13(4-5-14(10)17)24(22,23)19-12-3-6-15-11(8-12)9-20(2)16(21)18-15/h3-8,19H,9H2,1-2H3,(H,18,21)
InChIKey: UQXHNDHWFYISEE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(ccc1F)S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)N3)C
ACDLabs 12.01Cc1cc(ccc1F)S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1
CACTVS 3.385CN1Cc2cc(N[S](=O)(=O)c3ccc(F)c(C)c3)ccc2NC1=O
Name:4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide
ChEMBL: CHEMBL5182381

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)(download the PDF file).
  • 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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