Ligand
Ligand Name:   RU78299
Ligand Type:   peptide-like
Ligand ID:   COVPDB121 PubChem:   5287465
Synonym(s):  
  •   chembl421138
  • 2,6-diformyl-4-methylphenyl dihydrogen phosphate
  • fragment 11
  • bdbm14681
  • db03828
  • 2,6-diformyl-4-methylphenoxyphosphonic acid
  • q27094706
show 6 synonym(s)
DrugBank:   DB03828 ChEMBL:   CHEMBL421138
Canonical SMILES:   Cc1cc(C=O)c(OP(O)(O)=O)c(C=O)c1
Standard InChI:   InChI=1S/C9H9O6P/c1-6-2-7(4-10)9(8(3-6)5-11)15-16(12,13)14/h2-5H,1H3,(H2,12,13,14)
Molecular Formula:   C9H9O6P Mol. Weight:   244.01367 logP:   1.09152
HBD:   2 HBA:   4
#Rotatable Bonds:   4 TPSA:   100.9

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Proto-oncogene tyrosine-protein kinase Src P12931 (SRC_HUMAN) Homo sapiens (Human) 1O4E 299 IC50 : 39000-500000 nM, IC50 : 39000 nM, IC50 : 500000 nM BindingDB SHOW