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BioLiP

PDB CCD ID: RGN
Number of entries in BioLiP: 1
Chemical formula: C5 H8 F2 O2
InChI: InChI=1S/C5H8F2O2/c6-5(7)1-3(8)4(9)2-5/h3-4,8-9H,1-2H2/t3-,4-/m1/s1
InChIKey: RQJNPJXCMOLSSC-QWWZWVQMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@@H]1CC(F)(F)C[C@H]1O
OpenEye OEToolkits 2.0.7C1C(C(CC1(F)F)O)O
OpenEye OEToolkits 2.0.7C1[C@H]([C@@H](CC1(F)F)O)O
CACTVS 3.385O[CH]1CC(F)(F)C[CH]1O
Name:(1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol
ChEMBL: CHEMBL4531025
ZINC: ZINC000095774681
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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