BioLiP

PDB

BioLiP

PDB CCD ID:

PTR

Number of entries in BioLiP:

Chemical formula:

C9 H12 N O6 P

InChI:

InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1

InChIKey:

DCWXELXMIBXGTH-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O
CACTVS 3.341	N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
CACTVS 3.341	N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
OpenEye OEToolkits 1.5.0	c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O
ACDLabs 10.04	O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O

Name:

O-PHOSPHOTYROSINE;
PHOSPHONOTYROSINE

ChEMBL:

CHEMBL286939

DrugBank:

DB01962

ZINC:

ZINC000001530464

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).