SEQ2FUN

BioLiP

PDB CCD ID: BME
Number of entries in BioLiP: 15
Chemical formula: C2 H6 O S
InChI: InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
InChIKey: DGVVWUTYPXICAM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CS)O
ACDLabs 10.04
CACTVS 3.341		OCCS
Name:BETA-MERCAPTOETHANOL
ChEMBL: CHEMBL254951
DrugBank: DB03345
ZINC: ZINC000008216595
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).