BioLiP

PDB

BioLiP

PDB CCD ID:

PTH

Number of entries in BioLiP:

Chemical formula:

C10 H14 N O7 P

InChI:

InChI=1S/C10H14NO7P/c11-8(10(13)14)4-6-1-2-9(7(3-6)5-12)18-19(15,16)17/h1-3,8,12H,4-5,11H2,(H,13,14)(H2,15,16,17)/t8-/m0/s1

InChIKey:

QPZIXFGNLVEBKM-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](Cc1ccc(O[P](O)(O)=O)c(CO)c1)C(O)=O
OpenEye OEToolkits 1.5.0	c1cc(c(cc1CC(C(=O)O)N)CO)OP(=O)(O)O
OpenEye OEToolkits 1.5.0	c1cc(c(cc1C[C@@H](C(=O)O)N)CO)OP(=O)(O)O
CACTVS 3.341	N[C@@H](Cc1ccc(O[P](O)(O)=O)c(CO)c1)C(O)=O
ACDLabs 10.04	O=P(Oc1ccc(cc1CO)CC(C(=O)O)N)(O)O

Name:

CE1-METHYLENE-HYDROXY-PHOSPHOTYROSINE

ZINC:

ZINC000033423088

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).