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BioLiP

PDB CCD ID: TFQ
Number of entries in BioLiP: 1
Chemical formula: C11 H12 F3 N O2
InChI: InChI=1S/C11H12F3NO2/c12-11(13,14)6-8-3-1-7(2-4-8)5-9(15)10(16)17/h1-4,9H,5-6,15H2,(H,16,17)/t9-/m0/s1
InChIKey: VXIZYDKGLBPCAQ-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)CC(F)(F)F
CACTVS 3.341N[CH](Cc1ccc(CC(F)(F)F)cc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)CC(F)(F)F
CACTVS 3.341N[C@@H](Cc1ccc(CC(F)(F)F)cc1)C(O)=O
ACDLabs 10.04FC(F)(F)Cc1ccc(cc1)CC(C(=O)O)N
Name:4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE
DrugBank: DB08617
ZINC: ZINC000024981830
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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