SEQ2FUN

BioLiP

PDB CCD ID: F19
Number of entries in BioLiP: 2
Chemical formula: C12 H14 N O6 P S
InChI: InChI=1S/C12H14NO6PS/c14-20(15,16)19-8-7-13-21(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H2,14,15,16)
InChIKey: FCROUVVWZFPGFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)OCCN[S](=O)(=O)c1ccc2ccccc2c1
ACDLabs 10.04O=P(O)(O)OCCNS(=O)(=O)c2ccc1c(cccc1)c2
OpenEye OEToolkits 1.5.0c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O
Name:2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE
DrugBank: DB07732
ZINC: ZINC000016051903
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).