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BioLiP

PDB CCD ID: 4LZ
Number of entries in BioLiP: 0
Chemical formula: C11 H15 N4 O3
InChI: InChI=1S/C11H14N4O3/c12-10(11(16)17)7-8-1-3-9(4-2-8)18-6-5-14-15-13/h1-4,10,13H,5-7,12H2/p+1/t10-/m0/s1
InChIKey: VEKASIBNRYZXIE-JTQLQIEISA-O
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](Cc1ccc(OCCN=[N+]=N)cc1)C(O)=O
OpenEye OEToolkits 1.7.6c1cc(ccc1CC(C(=O)O)N)OCCN=[N+]=N
CACTVS 3.385N[CH](Cc1ccc(OCCN=[N+]=N)cc1)C(O)=O
ACDLabs 12.01C(C(N)Cc1ccc(OCC\N=[N+]=N)cc1)(=O)O
OpenEye OEToolkits 1.7.6c1cc(ccc1C[C@@H](C(=O)O)N)OCCN=[N+]=N
Name:O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine
ZINC: ZINC000263621117
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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