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BioLiP Library

PDB CCD ID: DI7
Number of entries in BioLiP: 0
Chemical formula: C11 H15 N O3
InChI: InChI=1S/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKey: LSNDLIKCFHLFKO-JTQLQIEISA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)Cc1c(cc(O)cc1C)C
CACTVS 3.385Cc1cc(O)cc(C)c1C[CH](N)C(O)=O
CACTVS 3.385Cc1cc(O)cc(C)c1C[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6Cc1cc(cc(c1CC(C(=O)O)N)C)O
OpenEye OEToolkits 1.7.6Cc1cc(cc(c1C[C@@H](C(=O)O)N)C)O
Name:2,6-dimethyl-L-tyrosine
ChEMBL: CHEMBL180386
ZINC: ZINC000006069971
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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