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BioLiP

PDB CCD ID: 5UN
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2 O3 S2
InChI: InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
InChIKey: ZQWXOBLMDBJRLY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Nc1ccc(cc1)S(=O)(=O)N)Cc2sccc2
CACTVS 3.370N[S](=O)(=O)c1ccc(NC(=O)Cc2sccc2)cc1
OpenEye OEToolkits 1.7.0c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N
Name:N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
ChEMBL: CHEMBL573127
ZINC: ZINC000000030817
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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