SEQ2FUN

BioLiP

PDB CCD ID: MPO
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O4 S
InChI: InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)
InChIKey: DVLFYONBTKHTER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)CCCN1CCOCC1
CACTVS 3.341O[S](=O)(=O)CCCN1CCOCC1
OpenEye OEToolkits 1.5.0C1COCCN1CCCS(=O)(=O)O
Name:3[N-MORPHOLINO]PROPANE SULFONIC ACID
ChEMBL: CHEMBL1234443
DrugBank: DB03434
ZINC: ZINC000002004377
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).