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BioLiP

PDB CCD ID: WLE
Number of entries in BioLiP: 1
Chemical formula: C14 H15 N3 O4 S
InChI: InChI=1S/C14H15N3O4S/c1-21-12-4-2-3-11(9-12)17-14(18)16-10-5-7-13(8-6-10)22(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
InChIKey: POERGDGPHIWSKB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(N)(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1
CACTVS 3.385COc1cccc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)c1
OpenEye OEToolkits 2.0.7COc1cccc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N
Name:4-[(3-methoxyphenyl)carbamamido]benzene-1-sulfonamide
ZINC: ZINC000012894502
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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