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BioLiP

PDB CCD ID: 56F
Number of entries in BioLiP: 1
Chemical formula: C8 H10 Cl N O2 S
InChI: InChI=1S/C8H10ClNO2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKey: YPYACBWYLBGTPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CNS(=O)(=O)Cc1ccc(cc1)Cl
ACDLabs 12.01N(C)S(Cc1ccc(cc1)Cl)(=O)=O
CACTVS 3.385CN[S](=O)(=O)Cc1ccc(Cl)cc1
Name:1-(4-chlorophenyl)-N-methylmethanesulfonamide
ZINC: ZINC000001057108
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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