SEQ2FUN

BioLiP

PDB CCD ID: TYB
Number of entries in BioLiP: 0
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,6,8,12H,5,10H2/t8-/m0/s1
InChIKey: DXGAIOIQACHYRK-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C=O
ACDLabs 10.04O=CC(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C=O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C=O)N)O
Name:TYROSINAL
DrugBank: DB03978
ZINC: ZINC000002043207
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).