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BioLiP

PDB CCD ID: XL3
Number of entries in BioLiP: 2
Chemical formula: C3 H8 S
InChI: InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChIKey: SUVIGLJNEAMWEG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCS
ACDLabs 10.04SCCC
Name:propane-1-thiol
ChEMBL: CHEMBL1236818
ZINC: ZINC000000897490
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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