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BioLiP

PDB CCD ID: S9N
Number of entries in BioLiP: 1
Chemical formula: C11 H9 F N2 O4 S
InChI: InChI=1S/C11H9FN2O4S/c12-8-3-1-7(2-4-8)9-5-6-14(19(13,17)18)10(9)11(15)16/h1-6H,(H,15,16)(H2,13,17,18)
InChIKey: IDOBAPQERIMOPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccn(c2C(=O)O)S(=O)(=O)N)F
CACTVS 3.385N[S](=O)(=O)n1ccc(c2ccc(F)cc2)c1C(O)=O
Name:3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid
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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