Ligand
Ligand Name:   phenylpyruvate
Ligand Type:   peptide-like
Ligand ID:   COVPDB902 PubChem:   997
Synonym(s):  
  •   phenylpyruvic acid
  • 2-oxo-3-phenylpropanoic acid
  • 156-06-9
  • 3-phenylpyruvic acid
  • pyruvic acid, phenyl-
  • beta-phenylpyruvic acid
  • phenyl pyruvic acid
  • 3-phenyl-2-oxopropanoate
  • alpha-ketohydrocinnamic acid
  • benzenepropanoic acid, .alpha.-oxo-
  • 3-phenyl-2-oxopropanoic acid
  • unii-x7co62m413
  • phenylpyroracemic acid
  • chebi:30851
  • benzenepropanoic acid, alpha-oxo-
  • 2-oxo-3-phenyl-propionic acid
  • x7co62m413
  • mfcd00002589
  • b-phenylpyruvic acid
  • ppy
  • 2-oxo-3-phenylpropionic acid
  • alpha-keto-dl-phenylalanine
  • 2-oxo-3-phenylpropanic acid
  • 2-oxo-3-phenyl-propanoic acid
  • b-phenylpyruvate
  • phenylpyroracemate
  • 4kif
  • beta-phenylpyruvate
  • phenyl-pyruvic acid
  • einecs 205-847-1
  • a-hydroxycinnamic acid
  • phenylbrenztraubensaeure
  • alpha-ketohydrocinnamate
  • .beta.-phenylpyruvic acid
  • phenylpyruvic acid, 98%
  • acmc-209dd9
  • dsstox_cid_22281
  • dsstox_rid_79988
  • dsstox_gsid_42281
  • schembl43235
  • alpha-oxo-benzenepropanoic acid
  • a-oxobenzenepropanoic acid, 9ci
  • chembl1162488
  • dtxsid1042281
  • fema 3892
  • zinc901485
  • tox21_301362
  • 7828aa
  • anw-21595
  • arj102154
  • bdbm50167651
  • geo-02572
  • s6131
  • sbb012361
  • akos000161798
  • cs-w013246
  • db03884
  • hy-w012530
  • mcule-9935480822
  • phenylpyruvic acid, analytical standard
  • ncgc00255726-01
  • ak-90109
  • cas-156-06-9
  • st068813
  • 2-hydroxy-3-phenyl-2-propenoic acid, 9ci
  • ac-116009
  • db-043302
  • phenylpyruvic acid, purum, >=98.0% (t)
  • ft-0631855
  • p0154
  • en300-49247
  • c00166
  • 1r-0191
  • q425030
  • sr-01000580517
  • q-201562
  • sr-01000580517-1
  • 2-oxo-3-phenylpropanoic acid (mixture oxo and keto)
  • 7d5f143e-52e8-4fbb-87f1-0d4f96b4ca60
  • z1270443861
show 79 synonym(s)
DrugBank:   DB03884 ChEMBL:   CHEMBL1162488
Canonical SMILES:   OC(=O)C(=O)Cc1ccccc1
Standard InChI:   InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
Molecular Formula:   C9H8O3 Mol. Weight:   164.04735 logP:   0.8828
HBD:   1 HBA:   2
#Rotatable Bonds:   3 TPSA:   54.37

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Phenylpyruvate C(3)-methyltransferase Q643C8 (MPPJ_STRHY) Streptomyces hygroscopicus 4M72 HF2
-
-
SHOW
Phenylpyruvate C(3)-methyltransferase Q643C8 (MPPJ_STRHY) Streptomyces hygroscopicus 4M73 HF2
-
-
SHOW
Phenylpyruvate C(3)-methyltransferase Q643C8 (MPPJ_STRHY) Streptomyces hygroscopicus 4M6X HF2
-
-
SHOW
Phenylpyruvate C(3)-methyltransferase Q643C8 (MPPJ_STRHY) Streptomyces hygroscopicus 4KIF HF2
-
-
SHOW
Phenylpyruvate C(3)-methyltransferase Q643C8 (MPPJ_STRHY) Streptomyces hygroscopicus 4M71 HF2
-
-
SHOW
Phenylpyruvate C(3)-methyltransferase Q643C8 (MPPJ_STRHY) Streptomyces hygroscopicus 4M6Y HF2
-
-
SHOW
Phenylpyruvate C(3)-methyltransferase Q643C8 (MPPJ_STRHY) Streptomyces hygroscopicus 4M74 HF2
-
-
SHOW
Phenylpyruvate C(3)-methyltransferase Q643C8 (MPPJ_STRHY) Streptomyces hygroscopicus 4KIB HF2
-
-
SHOW
Phenylpyruvate C(3)-methyltransferase Q643C8 (MPPJ_STRHY) Streptomyces hygroscopicus 4KIC HF2
-
-
SHOW