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BioLiP

PDB CCD ID: DTU
Number of entries in BioLiP: 0
Chemical formula: C4 H10 O2 S2
InChI: InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+
InChIKey: VHJLVAABSRFDPM-ZXZARUISSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@H]([C@H](CS)O)O)S
CACTVS 3.341O[C@H](CS)[C@@H](O)CS
CACTVS 3.341O[CH](CS)[CH](O)CS
OpenEye OEToolkits 1.5.0C(C(C(CS)O)O)S
ACDLabs 10.04SCC(O)C(O)CS
Name:(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL
ChEMBL: CHEMBL1232391
DrugBank: DB01692
ZINC: ZINC000012341762
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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