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BioLiP

PDB CCD ID: TYJ
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O5
InChI: InChI=1S/C10H13NO5/c1-11-6(10(15)16)2-5-3-8(13)9(14)4-7(5)12/h3-4,6,11-14H,2H2,1H3,(H,15,16)/t6-/m0/s1
InChIKey: ZAUUPGAGAXIMDO-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CN[C@@H](Cc1cc(c(cc1O)O)O)C(=O)O
ACDLabs 12.01O=C(O)C(NC)Cc1c(O)cc(O)c(O)c1
CACTVS 3.370CN[C@@H](Cc1cc(O)c(O)cc1O)C(O)=O
CACTVS 3.370CN[CH](Cc1cc(O)c(O)cc1O)C(O)=O
OpenEye OEToolkits 1.7.0CNC(Cc1cc(c(cc1O)O)O)C(=O)O
Name:2,5-dihydroxy-N-methyl-L-tyrosine
ZINC: ZINC000098209478
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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