SEQ2FUN

BioLiP

PDB CCD ID: ASF
Number of entries in BioLiP: 1
Chemical formula: C7 H14 O4 S
InChI: InChI=1S/C7H14O4S/c1-2-3-5-12(10,11)6-4-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey: GSHVAQAKBLEIEY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCC[S](=O)(=O)CCC(O)=O
OpenEye OEToolkits 1.5.0CCCCS(=O)(=O)CCC(=O)O
ACDLabs 10.04O=S(=O)(CCC(=O)O)CCCC
Name:3-(BUTYLSULPHONYL)-PROPANOIC ACID
DrugBank: DB07387
ZINC: ZINC000003130413
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).