| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein |
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| Ligand | BDBM93213 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Capsid Assembly Assay |
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| IC50 | 3.5e+2±n/a nM |
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| Kd | 5e+2±n/a nM |
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| Citation |  Goudreau, N; Lemke, CT; Faucher, AM; Grand-Maître, C; Goulet, S; Lacoste, JE; Rancourt, J; Malenfant, E; Mercier, JF; Titolo, S; Mason, SW Novel Inhibitor Binding Site Discovery on HIV-1 Capsid N-Terminal Domain by NMR and X-ray Crystallography. ACS Chem Biol8:1074-82 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| |
| Gag-Pol polyprotein |
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| Name: | Gag-Pol polyprotein |
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| Synonyms: | Capsid protein p24 | Gag-Pol polyprotein (Capsid Protein) | HIV-1 integrase (IN) WT | POL_HV1N5 | Reverse transcriptase (HIV-1 RT) | gag-pol |
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| Type: | Protein |
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| Mol. Mass.: | 161820.05 |
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| Organism: | Human immunodeficiency virus type 1 group M subtype B (isolate NY5) (HIV-1) |
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| Description: | P12497 |
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| Residue: | 1435 |
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| Sequence: | MGARASVLSGGELDKWEKIRLRPGGKKQYKLKHIVWASRELERFAVNPGLLETSEGCRQI
LGQLQPSLQTGSEELRSLYNTIAVLYCVHQRIDVKDTKEALDKIEEEQNKSKKKAQQAAA
DTGNNSQVSQNYPIVQNLQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGAT
PQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTT
STLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRF
YKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKA
RVLAEAMSQVTNPATIMIQKGNFRNQRKTVKCFNCGKEGHIAKNCRAPRKKGCWKCGKEG
HQMKDCTERQANFLREDLAFPQGKAREFSSEQTRANSPTRRELQVWGRDNNSLSEAGADR
QGTVSFSFPQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGG
FIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPISPIETVPVKLK
PGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRK
LVDFRELNKRTQDFWEVQLGIPHPAGLKQKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIP
SINNETPGIRYQYNVLPQGWKGSPAIFQCSMTKILEPFRKQNPDIVIYQYMDDLYVGSDL
EIGQHRTKIEELRQHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWT
VNDIQKLVGKLNWASQIYAGIKVRQLCKLLRGTKALTEVVPLTEEAELELAENREILKEP
VHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMKGAHTNDVKQLTEAVQ
KIATESIVIWGKTPKFKLPIQKETWEAWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEP
IIGAETFYVDGAANRETKLGKAGYVTDRGRQKVVPLTDTTNQKTELQAIHLALQDSGLEV
NIVTDSQYALGIIQAQPDKSESELVSQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDGLVS
AGIRKVLFLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQ
VDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTV
HTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLK
TAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDP
VWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
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| BDBM93213 |
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| n/a |
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| Name | BDBM93213 |
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| Synonyms: | Benzimidazole Inhibitor, 6 |
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| Type | Small molecule |
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| Emp. Form. | C32H31Cl2N5O2 |
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| Mol. Mass. | 588.527 |
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| SMILES | OC(=O)c1ccc(cc1)-c1ccc2n(CCCNC3CCCCC3)c(nc2c1)-c1c[nH]nc1-c1ccc(Cl)c(Cl)c1 |
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| Structure | 
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