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BioLiP

PDB CCD ID: 0EA
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O5
InChI: InChI=1S/C10H13NO5/c1-11-8(10(15)16)9(14)5-2-3-6(12)7(13)4-5/h2-4,8-9,11-14H,1H3,(H,15,16)/t8-,9+/m0/s1
InChIKey: RPXZFIAFSLMEJW-DTWKUNHWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CN[C@@H]([C@@H](c1ccc(c(c1)O)O)O)C(=O)O
OpenEye OEToolkits 1.7.6CNC(C(c1ccc(c(c1)O)O)O)C(=O)O
CACTVS 3.370CN[CH]([CH](O)c1ccc(O)c(O)c1)C(O)=O
ACDLabs 12.01O=C(O)C(NC)C(O)c1cc(O)c(O)cc1
CACTVS 3.370CN[C@@H]([C@H](O)c1ccc(O)c(O)c1)C(O)=O
Name:(betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine
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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