SEQ2FUN

BioLiP

PDB CCD ID: MCR
Number of entries in BioLiP: 4
Chemical formula: C2 H4 O2 S
InChI: InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)
InChIKey: CWERGRDVMFNCDR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)S
ACDLabs 10.04O=C(O)CS
CACTVS 3.341OC(=O)CS
Name:SULFANYLACETIC ACID;
MERCAPTOACETIC ACID
ChEMBL: CHEMBL116455
DrugBank: DB15429
ZINC: ZINC000004658574
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).