Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50240448
Substrate
n/a
Meas. Tech.
ChEMBL_1289187 (CHEMBL3119249)
Ki
4400±n/a nM
Citation
 Agapkina, J; Yanvarev, D; Anisenko, A; Korolev, S; Vepsäläinen, J; Kochetkov, S; Gottikh, M Specific features of HIV-1 integrase inhibition by bisphosphonate derivatives. Eur J Med Chem 73:73-82 (2014) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50240448
Synonyms:
2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldiphosphonic acid | CHEMBL34249 | [2-(3,4-Dichloro-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C8H10Cl2O7P2
Mol. Mass.:
351.014
SMILES:
OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: