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Target
Integrase
Ligand
BDBM50062551
Substrate
n/a
Meas. Tech.
ChEMBL_969976 (CHEMBL2405242)
IC50
2.7±n/a nM
Citation
 Johns, BA; Kawasuji, T; Weatherhead, JG; Taishi, T; Temelkoff, DP; Yoshida, H; Akiyama, T; Taoda, Y; Murai, H; Kiyama, R; Fuji, M; Tanimoto, N; Jeffrey, J; Foster, SA; Yoshinaga, T; Seki, T; Kobayashi, M; Sato, A; Johnson, MN; Garvey, EP; Fujiwara, 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:
BDBM50062551
Synonyms:
CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572
Type:
Small organic molecule
Emp. Form.:
C20H19F2N3O5
Mol. Mass.:
419.3788
SMILES:
[H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r|
Structure:
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