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BioLiP

PDB CCD ID: F2Y
Number of entries in BioLiP: 2
Chemical formula: C9 H9 F2 N O3
InChI: InChI=1S/C9H9F2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
InChIKey: KPKMCRFCNWVLDA-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc1cc(cc(F)c1O)CC(C(=O)O)N
OpenEye OEToolkits 1.7.6c1c(cc(c(c1F)O)F)CC(C(=O)O)N
OpenEye OEToolkits 1.7.6c1c(cc(c(c1F)O)F)C[C@@H](C(=O)O)N
CACTVS 3.370N[CH](Cc1cc(F)c(O)c(F)c1)C(O)=O
CACTVS 3.370N[C@@H](Cc1cc(F)c(O)c(F)c1)C(O)=O
Name:3,5-difluoro-L-tyrosine
ZINC: ZINC000006091244

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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