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BioLiP

PDB CCD ID: AES
Number of entries in BioLiP: 60
Chemical formula: C8 H10 F N O2 S
InChI: InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey: MGSKVZWGBWPBTF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(F)(=O)c1ccc(cc1)CCN
OpenEye OEToolkits 1.7.6c1cc(ccc1CCN)S(=O)(=O)F
CACTVS 3.370NCCc1ccc(cc1)[S](F)(=O)=O
Name:4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE;
AEBSF
ChEMBL: CHEMBL1096339
DrugBank: DB07347
ZINC: ZINC000008034834
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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