Target
Gag-Pol polyprotein
Ligand
BDBM151087
Substrate
n/a
Meas. Tech.
Integrase Assay
IC50
14000±n/a nM
Citation
 Danter, WThrelfall, CGuizzetti, SMarin, J Compounds and method for treatment of HIV US Patent  US8987272 Publication Date 3/24/2015 
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:
BDBM151087
Synonyms:
US8987272, COTI-HIV28236
Type:
Small organic molecule
Emp. Form.:
C16H15FN5O2
Mol. Mass.:
328.321
SMILES:
Cn1[nH]c(C(=O)NCc2ccc(F)cc2)\c(=N\O)c2ncccc12
Structure:
Search PDB for entries with ligand similarity: