BioLiP

PDB

BioLiP

PDB CCD ID:

MTJ

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O3

InChI:

InChI=1S/C11H15NO3/c1-12-10(11(13)14)7-8-3-5-9(15-2)6-4-8/h3-6,10,12H,7H2,1-2H3,(H,13,14)/t10-/m0/s1

InChIKey:

QESMMBKGCOSBNL-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.341	CN[CH](Cc1ccc(OC)cc1)C(O)=O
CACTVS 3.341	CN[C@@H](Cc1ccc(OC)cc1)C(O)=O
ACDLabs 10.04	O=C(O)C(NC)Cc1ccc(OC)cc1
OpenEye OEToolkits 1.5.0	CNC(Cc1ccc(cc1)OC)C(=O)O
OpenEye OEToolkits 1.5.0	CN[C@@H](Cc1ccc(cc1)OC)C(=O)O

Name:

N,O-DIMETHYL-L-TYROSINE

ZINC:

ZINC000002391141

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).