SEQ2FUN

BioLiP

PDB CCD ID: SWU
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O4 S
InChI: InChI=1S/C11H11NO4S/c1-7-4-11(13)16-10-5-8(2-3-9(7)10)6-17(12,14)15/h2-5H,6H2,1H3,(H2,12,14,15)
InChIKey: PZDPLSMUAUPDIS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=CC(=O)Oc2cc(C[S](N)(=O)=O)ccc12
OpenEye OEToolkits 2.0.7CC1=CC(=O)Oc2c1ccc(c2)CS(=O)(=O)N
Name:(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide
ChEMBL: CHEMBL198913
ZINC: ZINC000028530624
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).