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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 6L6
Number of entries in BioLiP: 2
Chemical formula: C10 H10 O2 S2
InChI: InChI=1S/C10H10O2S2/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-6,11-12H,1H3/b9-6-
InChIKey: MOMLKGNSDNGKFJ-TWGQIWQCSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(\O)(c1cc(ccc1)O)=C\C(=S)SC
OpenEye OEToolkits 2.0.4CSC(=S)C=C(c1cccc(c1)O)O
OpenEye OEToolkits 2.0.4CSC(=S)/C=C(/c1cccc(c1)O)\O
CACTVS 3.385CSC(=S)\C=C(O)\c1cccc(O)c1
CACTVS 3.385CSC(=S)C=C(O)c1cccc(O)c1
Name:methyl (2Z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate)
ZINC: ZINC000584904746

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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