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BioLiP

PDB CCD ID: OYS
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N2 O3 S
InChI: InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
InChIKey: JWDLYKTZCRIGNW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N
CACTVS 3.370N[S](=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
ACDLabs 12.01O=S(=O)(N)c2ccc(NC(=O)Cc1ccccc1)cc2
Name:2-phenyl-N-(4-sulfamoylphenyl)acetamide
ChEMBL: CHEMBL574782
ZINC: ZINC000000142256
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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