BioLiP

PDB

BioLiP

PDB CCD ID:

NTR

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O4

InChI:

InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-2-5(10)6(11)3-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m1/s1

InChIKey:

ZBWTWPZGSGMRTG-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c(cc1C(C(=O)O)N)O)O
OpenEye OEToolkits 1.5.0	c1cc(c(cc1[C@H](C(=O)O)N)O)O
ACDLabs 10.04	O=C(O)C(c1cc(O)c(O)cc1)N
CACTVS 3.341	N[CH](C(O)=O)c1ccc(O)c(O)c1
CACTVS 3.341	N[C@@H](C(O)=O)c1ccc(O)c(O)c1

Name:

META-HYDROXY BETA NOR-TYROSINE

ZINC:

ZINC000002018403

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).