SEQ2FUN

BioLiP

PDB CCD ID: TYT
Number of entries in BioLiP: 0
Chemical formula: C18 H20 N2 O4
InChI: InChI=1S/C18H20N2O4/c19-13(18(23)24)6-11-7-15(17(22)9-16(11)21)20-14-8-12(14)10-4-2-1-3-5-10/h1-5,9,11-14,22H,6-8,19H2,(H,23,24)/b20-15+
InChIKey: QDTWKLJWNHRCPJ-HMMYKYKNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2CC2/N=C/3\CC(C(=O)C=C3O)C[C@@H](C(=O)O)N
CACTVS 3.341NC(CC1CC(=NC2CC2c3ccccc3)C(=CC1=O)O)C(O)=O
ACDLabs 10.04O=C(O)C(N)CC3C(=O)C=C(O)/C(=N/C2CC2c1ccccc1)C3
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2CC2N=C3CC(C(=O)C=C3O)CC(C(=O)O)N
Name:TYROSINE DERIVATIVE;
2-AMINO-3-[4-HYDROXY-6-OXO-3-(2-PHENYL-CYCLOPROPYLIMINO)-CYCLOHEXA-1,4-DIENYL]-PROPIONIC ACID
DrugBank: DB01657
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).