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BioLiP

PDB CCD ID: A1IBC
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N O2 S
InChI: InChI=1S/C10H13NO2S/c12-14(13,11-8-9-6-7-9)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2
InChIKey: ZEEQKMBWAJJCNO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)S(=O)(=O)NCC2CC2
CACTVS 3.385O=[S](=O)(NCC1CC1)c2ccccc2
Name:~{N}-(cyclopropylmethyl)benzenesulfonamide
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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