Target
Integrase
Ligand
BDBM50492496
Substrate
n/a
Meas. Tech.
ChEMBL_969976 (CHEMBL2405242)
IC50
3.0±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 Chem 56:5901-16 (2013) [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:
BDBM50492496
Synonyms:
Cabotegravir | GSK-1265744A | GSK1265744 | GSK1265744A | S-265744
Type:
Small organic molecule
Emp. Form.:
C19H17F2N3O5
Mol. Mass.:
405.3522
SMILES:
[H][C@@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@@H](C)CO2 |r|
Structure:
Search PDB for entries with ligand similarity: