SEQ2FUN

BioLiP

PDB CCD ID: H9L
Number of entries in BioLiP: 4
Chemical formula: C5 H10 O3 S
InChI: InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKey: ONFOSYPQQXJWGS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CSCC[C@@H](O)C(O)=O
CACTVS 3.385CSCC[CH](O)C(O)=O
OpenEye OEToolkits 2.0.7CSCCC(C(=O)O)O
Name:4-methylsulfanyl-2-oxidanyl-butanoic acid
ChEMBL: CHEMBL2104213
DrugBank: DB15832
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).