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BioLiP

PDB CCD ID: 5DW
Number of entries in BioLiP: 0
Chemical formula: C11 H11 N O2
InChI: InChI=1S/C11H11NO2/c1-2-8-3-5-9(6-4-8)7-10(12)11(13)14/h1,3-6,10H,7,12H2,(H,13,14)/t10-/m0/s1
InChIKey: PPDNGMUGVMESGE-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C#Cc1ccc(cc1)CC(C(=O)O)N
ACDLabs 12.01C(c1ccc(CC(N)C(=O)O)cc1)#C
CACTVS 3.385N[C@@H](Cc1ccc(cc1)C#C)C(O)=O
OpenEye OEToolkits 1.9.2C#Cc1ccc(cc1)C[C@@H](C(=O)O)N
CACTVS 3.385N[CH](Cc1ccc(cc1)C#C)C(O)=O
Name:4-ethynyl-L-phenylalanine
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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