BioLiP

PDB

BioLiP

PDB CCD ID:

PTM

Number of entries in BioLiP:

Chemical formula:

C10 H14 N O6 P

InChI:

InChI=1S/C10H14NO6P/c1-10(11,9(12)13)6-7-2-4-8(5-3-7)17-18(14,15)16/h2-5H,6,11H2,1H3,(H,12,13)(H2,14,15,16)/t10-/m0/s1

InChIKey:

ZXNVWXYLFYKNAE-JTQLQIEISA-N

SMILES:

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

Name:

ALPHA-METHYL-O-PHOSPHOTYROSINE

ZINC:

ZINC000033821485

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).