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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: IKF
Number of entries in BioLiP: 2
Chemical formula: C13 H12 O S
InChI: InChI=1S/C13H12OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2/t15-/m0/s1
InChIKey: FBPGAWABXWMRAR-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=[S](Cc1ccccc1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)CS(=O)c2ccccc2
CACTVS 3.385O=[S@@](Cc1ccccc1)c2ccccc2
Name:phenylsulfinylmethylbenzene
ZINC: ZINC000000173124

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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