BioLiP

PDB

BioLiP

PDB CCD ID:

A30

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O3

InChI:

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

InChIKey:

RMYPEYHEPIZYDJ-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCOc1ccc(cc1)C[C@@H](C(=O)O)N
CACTVS 3.385	CCOc1ccc(C[CH](N)C(O)=O)cc1
CACTVS 3.385	CCOc1ccc(C[C@H](N)C(O)=O)cc1
OpenEye OEToolkits 2.0.7	CCOc1ccc(cc1)CC(C(=O)O)N
ACDLabs 12.01	CCOc1ccc(cc1)CC(N)C(=O)O

Name:

O-ethyl-L-tyrosine

ZINC:

ZINC000001676579

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).