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BioLiP

PDB CCD ID: R1E
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-/m0/s1
InChIKey: RQJNPJXCMOLSSC-IMJSIDKUSA-N
SMILES:
SoftwareSMILES
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
CACTVS 3.385O[C@H]1CC(F)(F)C[C@@H]1O
Name:trans-4,4-difluorocyclopentane-1,2-diol;
(1~{S},2~{S})-4,4-bis(fluoranyl)cyclopentane-1,2-diol
ZINC: ZINC000238723630
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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