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BioLiP

PDB CCD ID: FLA
Number of entries in BioLiP: 1
Chemical formula: C3 H4 F3 N O2
InChI: InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)/t1-/m0/s1
InChIKey: HMJQKIDUCWWIBW-SFOWXEAESA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04FC(F)(F)C(N)C(=O)O
CACTVS 3.341N[C@@H](C(O)=O)C(F)(F)F
OpenEye OEToolkits 1.5.0C(C(=O)O)(C(F)(F)F)N
CACTVS 3.341N[CH](C(O)=O)C(F)(F)F
OpenEye OEToolkits 1.5.0[C@H](C(=O)O)(C(F)(F)F)N
Name:TRIFLUOROALANINE
DrugBank: DB03794
ZINC: ZINC000002047325
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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