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BioLiP

PDB CCD ID: 0QR
Number of entries in BioLiP: 1
Chemical formula: C11 H10 F N3 O2 S
InChI: InChI=1S/C11H10FN3O2S/c12-8-4-6-9(7-5-8)18(16,17)15-11-3-1-2-10(13)14-11/h1-7H,(H3,13,14,15)
InChIKey: RMLZUMIBXDAAKA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(Nc1nc(ccc1)N)c2ccc(F)cc2
CACTVS 3.370Nc1cccc(N[S](=O)(=O)c2ccc(F)cc2)n1
OpenEye OEToolkits 1.7.6c1cc(nc(c1)NS(=O)(=O)c2ccc(cc2)F)N
Name:N-(6-aminopyridin-2-yl)-4-fluorobenzenesulfonamide
ChEMBL: CHEMBL2086793
ZINC: ZINC000072319614
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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