BioLiP

PDB

BioLiP

PDB CCD ID:

TY1

Number of entries in BioLiP:

Chemical formula:

C13 H19 N O3

InChI:

InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1

InChIKey:

SNZIFNXFAFKRKT-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC(C)(C)Oc1ccc(C[CH](N)C(O)=O)cc1
CACTVS 3.370	CC(C)(C)Oc1ccc(C[C@H](N)C(O)=O)cc1
OpenEye OEToolkits 1.7.0	CC(C)(C)Oc1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.7.0	CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)Cc1ccc(OC(C)(C)C)cc1

Name:

O-tert-butyl-L-tyrosine

ZINC:

ZINC000004899430

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).