Ligand
Ligand Name:   p-Amidinophenylpyruvate
Ligand Type:   non-polymer
Ligand ID:   COVPDB501 PubChem:   2138
Synonym(s):  
  •   amido phenyl pyruvic acid
  • chembl1231012
  • 3-(4-carbamimidoylphenyl)-2-oxopropanoic acid
  • p-amidinophenylpyruvic acid
  • schembl1329642
  • zinc2574378
  • arj100051
  • bdbm50010257
  • db02018
  • 2-oxo-3-(4-amidinophenyl)propanoic acid
  • q27093108
show 10 synonym(s)
DrugBank:   DB02018 ChEMBL:   CHEMBL1231012
Canonical SMILES:   NC(=N)c1ccc(CC(=O)C(O)=O)cc1
Standard InChI:   InChI=1S/C10H10N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4H,5H2,(H3,11,12)(H,14,15)
Molecular Formula:   C10H10N2O3 Mol. Weight:   206.06914 logP:   0.16687
HBD:   3 HBA:   3
#Rotatable Bonds:   4 TPSA:   104.24

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Prothrombin P00734 (THRB_HUMAN) Homo sapiens (Human) 1AHT APA Ki : 620 nM PDBBind SHOW
Cationic trypsin P00760 (TRY1_BOVIN) Bos taurus (Bovine) 1TPP APA
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