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BioLiP

PDB CCD ID: 1GD
Number of entries in BioLiP: 1
Chemical formula: C15 H16 N2 O3 S
InChI: InChI=1S/C15H16N2O3S/c16-21(19,20)14-8-6-13(7-9-14)11-17-15(18)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H2,16,19,20)
InChIKey: FTDLZZRRCJRQAA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(N)c1ccc(cc1)CNC(=O)Cc2ccccc2
CACTVS 3.370N[S](=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1
OpenEye OEToolkits 1.7.6c1ccc(cc1)CC(=O)NCc2ccc(cc2)S(=O)(=O)N
Name:2-phenyl-N-(4-sulfamoylbenzyl)acetamide
ChEMBL: CHEMBL574783
ZINC: ZINC000006864120
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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