SEQ2FUN

BioLiP

PDB CCD ID: MNS
Number of entries in BioLiP: 1
Chemical formula: C12 H14 N2 O2 S
InChI: InChI=1S/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)
InChIKey: TYNBFJJKZPTRKS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)c1cccc2c1cccc2S(=O)(=O)N
CACTVS 3.341CN(C)c1cccc2c1cccc2[S](N)(=O)=O
ACDLabs 10.04O=S(=O)(c1cccc2c1cccc2N(C)C)N
Name:5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE;
DANSYLAMIDE
ChEMBL: CHEMBL119489
DrugBank: DB02866
ZINC: ZINC000000056543
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).