BioLiP

PDB

BioLiP

PDB CCD ID:

YNM

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O3

InChI:

InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1

InChIKey:

AXDLCFOOGCNDST-VIFPVBQESA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(NC)Cc1ccc(O)cc1
OpenEye OEToolkits 1.6.1	CNC(Cc1ccc(cc1)O)C(=O)O
CACTVS 3.352	CN[CH](Cc1ccc(O)cc1)C(O)=O
OpenEye OEToolkits 1.6.1	CN[C@@H](Cc1ccc(cc1)O)C(=O)O
CACTVS 3.352	CN[C@@H](Cc1ccc(O)cc1)C(O)=O

Name:

N-METHYL-L-TYROSINE

ZINC:

ZINC000001846559

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).