Ki Summary

Reaction Details

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Target

Gag-Pol polyprotein

Ligand

BDBM189356

Substrate/Competitor

n/a

Meas. Tech.

HIV-1 RT Inhibition Assay

Temperature

310.15±n/a K

IC50

1.5e+3±n/a nM

Comments

extracted

Citation

Li, X; Huang, B; Zhou, Z; Gao, P; Pannecouque, C; Daelemans, D; De Clercq, E; Zhan, P; Liu, X Arylazolyl(azinyl)thioacetanilides: Part 19: Discovery of Novel Substituted Imidazo[4,5-b]pyridin-2-ylthioacetanilides as Potent HIV NNRTIs Via a Structure-based Bioisosterism Approach. Chem Biol Drug Des88:241-53 (2016) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Gag-Pol polyprotein

Name:

Gag-Pol polyprotein

Synonyms:

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

BDBM189356

n/a

Name

BDBM189356

Synonyms:

N-(2-Bromo-4-sulfonamido-phenyl)-2-(1-(4-cyclopropylnaphthalen-1-yl)-1H-imidazo[4,5-b]pyridin-2-ylthio)acetamide (12)

Type

Small organic molecule

Emp. Form.

C27H22BrN5O3S2

Mol. Mass.

608.529

SMILES

NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ncccc3n2-c2ccc(C3CC3)c3ccccc23)c(Br)c1 |(10,-.03,;8.67,.74,;9.44,2.07,;7.9,-.59,;7.34,1.51,;6,.74,;4.67,1.51,;4.67,3.05,;3.34,3.82,;2,3.05,;2,1.51,;.67,3.82,;-.67,3.05,;-2,3.82,;-2.48,5.28,;-4.02,5.28,;-5.05,6.43,;-6.55,6.11,;-7.03,4.64,;-6,3.5,;-4.49,3.82,;-3.25,2.91,;-3.25,1.37,;-4.58,.6,;-4.58,-.94,;-3.25,-1.71,;-3.25,-3.25,;-4.02,-4.58,;-2.48,-4.58,;-1.91,-.94,;-.58,-1.71,;.76,-.94,;.76,.6,;-.58,1.37,;-1.91,.6,;6,3.82,;6,5.36,;7.34,3.05,)|

Structure