Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetIntegrase
LigandBDBM50492497
Substrate/Competitorn/a
Meas. Tech.ChEMBL_969976 (CHEMBL2405242)
IC50 5.0±n/a nM
Citation Johns, BAKawasuji, TWeatherhead, JGTaishi, TTemelkoff, DPYoshida, HAkiyama, TTaoda, YMurai, HKiyama, RFuji, MTanimoto, NJeffrey, JFoster, SAYoshinaga, TSeki, TKobayashi, MSato, AJohnson, MNGarvey, EPFujiwara, T Carbamoyl pyridone HIV-1 integrase inhibitors 3. A diastereomeric approach to chiral nonracemic tricyclic ring systems and the discovery of dolutegravir (S/GSK1349572) and (S/GSK1265744). J Med Chem56:5901-16 (2013) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Integrase
Name:Integrase
Synonyms:pol
Type:PROTEIN
Mol. Mass.:32203.43
Organism:Human immunodeficiency virus 1
Description:ChEMBL_106649
Residue:288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50492497
n/a
NameBDBM50492497
Synonyms:CHEMBL2403118
TypeSmall organic molecule
Emp. Form.C20H20FN3O5
Mol. Mass.401.3883
SMILES[H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4)c(=O)c(O)c3C(=O)N1CC[C@@H](C)O2 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: