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BioLiP Library

PDB CCD ID: VZ3
Number of entries in BioLiP: 1
Chemical formula: C8 H10 Br N O3 S
InChI: InChI=1S/C8H10BrNO3S/c1-10-14(11,12)6-3-4-8(13-2)7(9)5-6/h3-5,10H,1-2H3
InChIKey: UCLZQLJVIIOZHG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNS(=O)(=O)c1ccc(c(c1)Br)OC
ACDLabs 12.01COc1ccc(cc1Br)S(=O)(=O)NC
CACTVS 3.385CN[S](=O)(=O)c1ccc(OC)c(Br)c1
Name:3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide
ZINC: ZINC000019828975
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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