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BioLiP

PDB CCD ID: TYN
Number of entries in BioLiP: 0
Chemical formula: C15 H16 N4 O4
InChI: InChI=1S/C15H16N4O4/c16-10-5-6-12(14-13(10)18-23-19-14)22-9-3-1-8(2-4-9)7-11(17)15(20)21/h1-6,11,18-19H,7,16-17H2,(H,20,21)/t11-/m0/s1
InChIKey: ZNGSFCGILGYFIU-NSHDSACASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](Cc1ccc(Oc2ccc(N)c3NONc23)cc1)C(O)=O
CACTVS 3.341N[CH](Cc1ccc(Oc2ccc(N)c3NONc23)cc1)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc3ccc(Oc2ccc(c1NONc12)N)cc3
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)Oc2ccc(c3c2NON3)N
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)Oc2ccc(c3c2NON3)N
Name:AMINOBENZOFURAZAN-O-TYROSINE
ZINC: ZINC000006548111
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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