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BioLiP

PDB CCD ID: 55I
Number of entries in BioLiP: 0
Chemical formula: C10 H10 F3 N O2
InChI: InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
InChIKey: CRFFPDBJLGAGQL-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(O)=O
CACTVS 3.385N[CH](Cc1ccc(cc1)C(F)(F)F)C(O)=O
ACDLabs 12.01FC(F)(F)c1ccc(CC(N)C(=O)O)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1CC(C(=O)O)N)C(F)(F)F
OpenEye OEToolkits 2.0.7c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)F
Name:4-(trifluoromethyl)-L-phenylalanine
ZINC: ZINC000002149429

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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