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BioLiP Library

PDB CCD ID: 7F6
Number of entries in BioLiP: 2
Chemical formula: C14 H14 O2
InChI: InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1
InChIKey: IHPDTPWNFBQHEB-ZIAGYGMSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(C(c2ccccc2)O)O
ACDLabs 12.01C(C(c1ccccc1)O)(O)c2ccccc2
CACTVS 3.385O[C@@H]([C@H](O)c1ccccc1)c2ccccc2
CACTVS 3.385O[CH]([CH](O)c1ccccc1)c2ccccc2
Name:(1R,2R)-1,2-diphenylethane-1,2-diol;
cis-stilbene epoxide, bound form
ZINC: ZINC000000388744
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)(download the PDF file).
  • 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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