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BioLiP

PDB CCD ID: 2TY
Number of entries in BioLiP: 0
Chemical formula: C17 H18 N2 O4
InChI: InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,7,9-10,13,20-21H,6,8,18H2,(H,22,23)/b19-7+/t13-/m0/s1
InChIKey: BSKROLLIUIDPDT-KUJOXMSCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](Cc1cc(N=CCc2ccccc2)c(O)cc1O)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)C\C=N\c2cc(c(cc2O)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC=Nc2cc(c(cc2O)O)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc2cc(\N=C\Cc1ccccc1)c(O)cc2O
CACTVS 3.341N[CH](Cc1cc(N=CCc2ccccc2)c(O)cc1O)C(O)=O
Name:2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE
DrugBank: DB06988
ZINC: ZINC000053683758
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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