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BioLiP

PDB CCD ID: HLT
Number of entries in BioLiP: 14
Chemical formula: C2 H Br Cl F3
InChI: InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H/t1-/m0/s1
InChIKey: BCQZXOMGPXTTIC-SFOWXEAESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[C@@H](C(F)(F)F)(Cl)Br
OpenEye OEToolkits 1.5.0C(C(F)(F)F)(Cl)Br
ACDLabs 10.04BrC(Cl)C(F)(F)F
CACTVS 3.341FC(F)(F)[C@H](Cl)Br
CACTVS 3.341FC(F)(F)[CH](Cl)Br
Name:2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE
ZINC: ZINC000008220828
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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