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BioLiP

PDB CCD ID: 3NF
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N O4
InChI: InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1
InChIKey: CAHKINHBCWCHCF-JTQLQIEISA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(NC(=O)C)Cc1ccc(O)cc1
OpenEye OEToolkits 1.7.0CC(=O)NC(Cc1ccc(cc1)O)C(=O)O
OpenEye OEToolkits 1.7.0CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O
CACTVS 3.370CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.370CC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O
Name:N-acetyl-L-tyrosine
ChEMBL: CHEMBL65543
DrugBank: DB11102
ZINC: ZINC000000156395
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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