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BioLiP

PDB CCD ID: EAW
Number of entries in BioLiP: 2
Chemical formula: C10 H13 Br N2 O2 S
InChI: InChI=1S/C10H13BrN2O2S/c11-9-5-1-2-6-10(9)12-16(14,15)13-7-3-4-8-13/h1-2,5-6,12H,3-4,7-8H2
InChIKey: SKZKXVWQIHWABR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Brc1ccccc1N[S](=O)(=O)N2CCCC2
OpenEye OEToolkits 2.0.6c1ccc(c(c1)NS(=O)(=O)N2CCCC2)Br
Name:N-(2-bromophenyl)pyrrolidine-1-sulfonamide
ZINC: ZINC000020255888
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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