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BioLiP

PDB CCD ID: PTR
Number of entries in BioLiP: 11
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O
CACTVS 3.341N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O
ACDLabs 10.04O=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, Peter L 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).

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