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TargetGag-Pol polyprotein (Capsid Protein)
LigandBDBM93213
Substrate/Competitorn/a
Meas. Tech.Capsid Assembly Assay
IC50 3.5e+2± 0 nM
Kd 5e+2± 0 nM
Citation Goudreau NLemke CTFaucher AMGrand-Maître CGoulet SLacoste JERancourt JMalenfant EMercier JFTitolo SMason SW Novel Inhibitor Binding Site Discovery on HIV-1 Capsid N-Terminal Domain by NMR and X-ray Crystallography. ACS Chem Biol 8:1074-82 (2013) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Gag-Pol polyprotein (Capsid Protein)
Name:Gag-Pol polyprotein (Capsid Protein)
Synonyms:Capsid protein p24 | HIV-1 integrase (IN) WT | Reverse transcriptase (HIV-1 RT)
Type:Protein
Mol. Mass.:161820.05
Organism:Human immunodeficiency virus type 1 group M subtype B (isolate NY5) (HIV-1)
Description:P12497
Residue:1435
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM93213
n/a
NameBDBM93213
Synonyms:Benzimidazole Inhibitor, 6
TypeSmall molecule
Emp. Form.C32H31Cl2N5O2
Mol. Mass.588.527
SMILESOC(=O)c1ccc(cc1)-c1ccc2n(CCCNC3CCCCC3)c(nc2c1)-c1c[nH]nc1-c1ccc(Cl)c(Cl)c1
Structure
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