BioLiP

PDB

BioLiP

PDB CCD ID:

DI7

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O3

InChI:

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

InChIKey:

LSNDLIKCFHLFKO-JTQLQIEISA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(N)Cc1c(cc(O)cc1C)C
CACTVS 3.385	Cc1cc(O)cc(C)c1C[CH](N)C(O)=O
CACTVS 3.385	Cc1cc(O)cc(C)c1C[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6	Cc1cc(cc(c1CC(C(=O)O)N)C)O
OpenEye OEToolkits 1.7.6	Cc1cc(cc(c1C[C@@H](C(=O)O)N)C)O

Name:

2,6-dimethyl-L-tyrosine

ChEMBL:

CHEMBL180386

ZINC:

ZINC000006069971

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).