SEQ2FUN

BioLiP

PDB CCD ID: 7BX
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O2 S
InChI: InChI=1S/C10H10N2O2S/c11-7-8-2-1-3-10(6-8)15(13,14)12-9-4-5-9/h1-3,6,9,12H,4-5H2
InChIKey: IQBVFUJHLUVSIM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=[S](=O)(NC1CC1)c2cccc(c2)C#N
OpenEye OEToolkits 2.0.6c1cc(cc(c1)S(=O)(=O)NC2CC2)C#N
Name:3-cyano-~{N}-cyclopropyl-benzenesulfonamide
ZINC: ZINC000007375423
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).