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BioLiP

PDB CCD ID: X5U
Number of entries in BioLiP: 0
Chemical formula: C10 H12 I N O2
InChI: InChI=1S/C10H12INO2/c1-10(12,9(13)14)6-7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey: YNCJAZPOXKKAMD-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@](Cc1ccc(cc1)I)(C(=O)O)N
CACTVS 3.385C[C@](N)(Cc1ccc(I)cc1)C(O)=O
OpenEye OEToolkits 2.0.7CC(Cc1ccc(cc1)I)(C(=O)O)N
CACTVS 3.385C[C](N)(Cc1ccc(I)cc1)C(O)=O
Name:(S)-alpha-methyl-4-Iodophenylalanine;
(2S)-2-azanyl-3-(4-iodophenyl)-2-methyl-propanoic acid;
4-Iodo-alpha-methyl-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).
  • 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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