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BioLiP

PDB CCD ID: WWV
Number of entries in BioLiP: 1
Chemical formula: C16 H19 N3 O3 S
InChI: InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
InChIKey: NCAVVYYIUQIEED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N
CACTVS 3.370CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)[S](N)(=O)=O
ACDLabs 12.01O=S(=O)(N)c2ccc(NC(=O)Nc1ccccc1C(C)C)cc2
Name:4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
ChEMBL: CHEMBL1615280
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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