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BioLiP

PDB CCD ID: A1AUH
Number of entries in BioLiP: 1
Chemical formula: C15 H17 F N4 O5 S
InChI: InChI=1S/C15H17FN4O5S/c1-10-9-13(24-2)18-14(17-10)19-15(21)20-26(22,23)12-6-4-3-5-11(12)25-8-7-16/h3-6,9H,7-8H2,1-2H3,(H2,17,18,19,20,21)
InChIKey: UMILVKYCJSHTOV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2OCCF)n1
OpenEye OEToolkits 2.0.7Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2OCCF)OC
ACDLabs 12.01O=C(Nc1nc(C)cc(OC)n1)NS(=O)(=O)c1ccccc1OCCF
Name:2-(2-fluoroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide
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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