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BioLiP Library

PDB CCD ID: 6LU
Number of entries in BioLiP: 2
Chemical formula: C15 H17 N3 O3 S
InChI: InChI=1S/C15H17N3O3S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
InChIKey: SPEYBQKWONGMOH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1cc(cc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N)C
ACDLabs 12.01Cc1cc(cc(c1)C)NC(=O)Nc2ccc(S(=O)(=O)N)cc2
CACTVS 3.385Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)c1
Name:4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide
ChEMBL: CHEMBL1643306
ZINC: ZINC000018172548
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)(download the PDF file).
  • 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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