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BioLiP

PDB CCD ID: 6SU
Number of entries in BioLiP: 11
Chemical formula: C9 H11 N O4 S
InChI: InChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-5-8(6-7)10-15(2,12)13/h3-6,10H,1-2H3
InChIKey: UQIOKJVVJMHUTP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5COC(=O)c1cccc(c1)NS(=O)(=O)C
CACTVS 3.385COC(=O)c1cccc(N[S](C)(=O)=O)c1
Name:methyl 3-(methylsulfonylamino)benzoate
ChEMBL: CHEMBL1384742
ZINC: ZINC000000143593
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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