Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Gag-Pol polyprotein
Ligand
BDBM151089
Substrate
n/a
Meas. Tech.
Integrase Assay
IC50
23900±n/a nM
Citation
Danter, W; Threlfall, C; Guizzetti, S; Marin, J Compounds and method for treatment of HIV US Patent US8987272 Publication Date 3/24/2015 More Info.:
Target
Name:
Gag-Pol polyprotein
Synonyms:
Integrase | POL_HV1U4 | gag-pol
Type:
Protein
Mol. Mass.:
161130.06
Organism:
Human immunodeficiency virus type 1 (HIV-1)
Description:
P24740
Residue:
1428
Sequence:
MGARASVLSGKKLDSWEKIRLRPGGNKKYRLKHLVWASRELEKFTLNPGLLETAEGCQQILGQLQPALQTGTEELRSLYNTVAVLYCVHQRIDVKDTKEALNKIEEMQNKNKQRTQQAAANTGSSQNYPIVQNAQGQPVHQALSPRTLNAWVKVVEDKAFSPEVIPMFSALSEGATPQDLNMMLNVVGGHQAAMQMLKDTINEEAAEWDRLHPVHAGPIPPGQMREPRGSDIAGTTSTVQEQIGWMTGNPPIPVGDIYRRWIILGLNKIVRMYSPVSILDIRQGPKEPFRDYVDRFFKTLRAEQATQDVKNWMTETLLVQNANPDCKSILRALGPGATLEEMMTACQGVGGPGHKARVLAEAMSQVQQTSIMMQRGNFRGPRRIKCFNCGKEGHLAKNCRAPRKKGCWKCGKEGHQMKDCTERQANFLRENLAFQQGEAREFSSEQTRANSPTSRNLWDGGKDDLPCETGAERQGTDSFSFPQITLWQRPLVTVKIGGQLIEALLDTGADDTVLEDINLPGKWKPKIIGGIGGFIKVRQYDQILIEICGKKTIGTVLVGPTPVNIIGRNMLTQIGCTLNFPISPIETVPVKLKPEMDGPKVKQWPLTEEKIKALTEICNEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHTAGLKKKKSVTVLDVGDAYFSVPLDESFRKYTAFTIPSINNETPGVRYQYNVLPQGWKGSPSIFQSSMTKILEPFRSQHPDIVIYQYMDDLYVGSDLEIGQHRAKIEELRAHLLSWGFITPDKKHQKEPPFLWMGYELHPDKWTVQPIQLPEKDSWTVNDIQKLVGKLNWASQIYAGIKVKQLCKLLRGAKALTDIVTLTEEAELELAENREILKDPVHGVYYDPSKDLVAEIQKQGQDQWTYQIYQEPFKNLKTGKYARKRSAHTNDVKQLTEVVQKVSTESIVIWGKIPKFRLPIQKETWEAWWMEYWQATWIPEWEFVNTPPLVKLWYQLEKDPIAGAETFYVDGAANRETKLGKAGYVTDRGRQKVVSLTETTNQKTELHAIHLALQDSGSEVNIVTDSQYALGIIQAQPDRSESEIVNQIIEKLIEKEKVYLSWVPAHKGIGGNEQVDKLVSSGIRKVLFLDGIDKAQEDHEKYHCNWRAMASDFNLPPVVAKEIVASCNKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFILKLAGRWPVKVIHTDNGSNFTSAAVKAVCWWANIQQEFGIPYNPQSQGVVESMNKELKKIIGQVREQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIIDIIATDIQTKELQKQISKIQNFRVYYRDSRDPIWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCMAGRQDED
Inhibitor
Name:
BDBM151089
Synonyms:
US8987272, COTI-HIV28233
Type:
Small organic molecule
Emp. Form.:
C17H13FN6O2
Mol. Mass.:
352.3225
SMILES:
Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)\c(=N\O)c2ncccc12
Structure:
