BioLiP

PDB

BioLiP

PDB CCD ID:

4LZ

Number of entries in BioLiP:

Chemical formula:

C11 H15 N4 O3

InChI:

InChI=1S/C11H14N4O3/c12-10(11(16)17)7-8-1-3-9(4-2-8)18-6-5-14-15-13/h1-4,10,13H,5-7,12H2/p+1/t10-/m0/s1

InChIKey:

VEKASIBNRYZXIE-JTQLQIEISA-O

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](Cc1ccc(OCCN=[N+]=N)cc1)C(O)=O
OpenEye OEToolkits 1.7.6	c1cc(ccc1CC(C(=O)O)N)OCCN=[N+]=N
CACTVS 3.385	N[CH](Cc1ccc(OCCN=[N+]=N)cc1)C(O)=O
ACDLabs 12.01	C(C(N)Cc1ccc(OCC\N=[N+]=N)cc1)(=O)O
OpenEye OEToolkits 1.7.6	c1cc(ccc1C[C@@H](C(=O)O)N)OCCN=[N+]=N

Name:

O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine

ZINC:

ZINC000263621117

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).