BioLiP

PDB

BioLiP

PDB CCD ID:

IB9

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O3

InChI:

InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1

InChIKey:

JYPHNHPXFNEZBR-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1[C@H](CC(=O)O)N)O
CACTVS 3.385	N[C@@H](CC(O)=O)c1ccc(O)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1C(CC(=O)O)N)O
CACTVS 3.385	N[CH](CC(O)=O)c1ccc(O)cc1

Name:

Beta-tyrosine;
(3S)-3-azanyl-3-(4-hydroxyphenyl)propanoic acid;
Betatyrosine

ZINC:

ZINC000000170333

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).