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BioLiP

PDB CCD ID: 65M
Number of entries in BioLiP: 1
Chemical formula: C15 H17 N3 O3 S
InChI: InChI=1S/C15H17N3O3S/c1-18(11-12-6-3-2-4-7-12)15(19)17-13-8-5-9-14(10-13)22(16,20)21/h2-10H,11H2,1H3,(H,17,19)(H2,16,20,21)
InChIKey: HSRTVRBOFWARDD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(Cc1ccccc1)C(=O)Nc2cccc(c2)[S](N)(=O)=O
ACDLabs 12.01O=S(N)(=O)c1cc(NC(=O)N(C)Cc2ccccc2)ccc1
OpenEye OEToolkits 2.0.7CN(Cc1ccccc1)C(=O)Nc2cccc(c2)S(=O)(=O)N
Name:3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide
ChEMBL: CHEMBL5085957
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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