BioLiP

PDB

BioLiP

PDB CCD ID:

TY5

Number of entries in BioLiP:

Chemical formula:

C16 H17 N O3

InChI:

InChI=1S/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1

InChIKey:

KAFHLONDOVSENM-HNNXBMFYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
ACDLabs 12.01	O=C(O)C(N)Cc2ccc(OCc1ccccc1)cc2
OpenEye OEToolkits 1.7.0	c1ccc(cc1)COc2ccc(cc2)CC(C(=O)O)N
CACTVS 3.370	N[CH](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
OpenEye OEToolkits 1.7.0	c1ccc(cc1)COc2ccc(cc2)C[C@@H](C(=O)O)N

Name:

O-benzyl-L-tyrosine

ChEMBL:

CHEMBL147608

ZINC:

ZINC000000133159

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).