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BioLiP

PDB CCD ID: TY5
Number of entries in BioLiP: 0
Chemical formula: C16 H17 N O3
InChI: InChI=1S/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1
InChIKey: KAFHLONDOVSENM-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc2ccc(OCc1ccccc1)cc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)COc2ccc(cc2)CC(C(=O)O)N
CACTVS 3.370N[CH](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)COc2ccc(cc2)C[C@@H](C(=O)O)N
Name:O-benzyl-L-tyrosine
ChEMBL: CHEMBL147608
ZINC: ZINC000000133159
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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