BioLiP

PDB

BioLiP

PDB CCD ID:

A1D5P

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O4

InChI:

InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m1/s1

InChIKey:

RKCRKDKQUDBXAU-SFYZADRCSA-N

SMILES:

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

Name:

(2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid;
(betaS)-beta-hydroxy-D-tyrosine

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).