BioLiP

PDB

BioLiP

PDB CCD ID:

MS7

Number of entries in BioLiP:

Chemical formula:

C17 H20 N2 O2

InChI:

InChI=1S/C17H20N2O2/c1-19-17(20)16(18)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10,16H,11-12,18H2,1H3,(H,19,20)/t16-/m0/s1

InChIKey:

ZMTWQALRHGTUHL-INIZCTEOSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1
ACDLabs 12.01	O=C(NC)C(N)Cc2ccc(OCc1ccccc1)cc2
OpenEye OEToolkits 1.7.0	CNC(=O)C(Cc1ccc(cc1)OCc2ccccc2)N
CACTVS 3.370	CNC(=O)[CH](N)Cc1ccc(OCc2ccccc2)cc1
OpenEye OEToolkits 1.7.0	CNC(=O)[C@H](Cc1ccc(cc1)OCc2ccccc2)N

Name:

O-benzyl-N-methyl-L-tyrosinamide

ZINC:

ZINC000034307122

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).