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BioLiP

PDB CCD ID: 9D8
Number of entries in BioLiP: 2
Chemical formula: C23 H23 Cl N2 O3 S
InChI: InChI=1S/C23H23ClN2O3S/c1-2-15-26(17-18-7-4-3-5-8-18)23(27)19-11-13-22(14-12-19)30(28,29)25-21-10-6-9-20(24)16-21/h3-14,16,25H,2,15,17H2,1H3
InChIKey: VMGWOAVOASXXIH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCN(Cc1ccccc1)C(=O)c2ccc(cc2)S(=O)(=O)Nc3cccc(c3)Cl
CACTVS 3.385CCCN(Cc1ccccc1)C(=O)c2ccc(cc2)[S](=O)(=O)Nc3cccc(Cl)c3
Name:4-[(3-chlorophenyl)sulfamoyl]-~{N}-(phenylmethyl)-~{N}-propyl-benzamide
ChEMBL: CHEMBL5186508
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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