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TargetProtease
LigandBDBM126675
Substrate/Competitorn/a
Meas. Tech.Alphascreen Assay
pH7.4±n/a
Temperature277.15±n/a K
IC50 17740±n/a nM
Citation Bardiot DChaltin PChrist FDebyser ZDe Maeyer MMarchand AMarchand DVoet A Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors US Patent  US8785638 Publication Date 7/22/2014
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Protease
Name:Protease
Synonyms:Gag-Pol polyprotein
Type:Protein
Mol. Mass.:163312.58
Organism:Human immunodeficiency virus type 1 (HIV-1)
Description:P03367
Residue:1447
Sequence:
MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGLLETSEGCRQI
LGQLQPSLQTGSEELRSLYNTVATLYCVHQRIEIKDTKEALDKIEEEQNKSKKKAQQAAA
DTGHSSQVSQNYPIVQNIQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGAT
PQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRVHPVHAGPIAPGQMREPRGSDIAGTT
STLQEQIGWMTNNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRF
YKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPAATLEEMMTACQGVGGPGHKA
RVLAEAMSQVTNSATIMMQRGNFRNQRKIVKCFNCGKEGHIARNCRAPRKKGCWKCGKEG
HQMKDCTERQANFLREDLAFLQGKAREFSSEQTRANSPTISSEQTRANSPTRRELQVWGR
DNNSLSEAGADRQGTVSFNFPQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPG
RWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFP
ISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVF
AIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLD
EDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIY
QYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTV
QPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAEL
ELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARTRGAH
TNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPP
LVKLWYQLEKEPIVGAETFYVDGAASRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQA
IHLALQDSGLEVNIVTDSQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHKG
IGGNEQVDKLVSAGIRKVLFLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCD
KCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFL
LKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKI
IGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQ
NFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCV
ASRQDED
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  Blast E-value cutoff:
BDBM126675
n/a
NameBDBM126675
Synonyms:US8785638, 160
TypeSmall organic molecule
Emp. Form.C25H29NO3S
Mol. Mass.423.568
SMILESCCCC(C(O)=O)c1c(C)nc2sc3CCCCc3c2c1-c1ccc(C)cc1OC |(4.26,2.31,;4.26,.77,;2.93,,;2.93,-1.54,;4.26,-2.31,;5.6,-1.54,;4.26,-3.85,;1.6,-2.31,;1.6,-3.85,;2.93,-4.62,;.26,-4.62,;-1.07,-3.85,;-2.53,-4.33,;-3.44,-3.08,;-4.97,-2.92,;-5.6,-1.51,;-4.69,-.27,;-3.16,-.43,;-2.53,-1.83,;-1.07,-2.31,;.26,-1.54,;.26,,;1.6,.77,;1.6,2.31,;.26,3.08,;.26,4.62,;-1.07,2.31,;-1.07,.77,;-2.4,,;-3.74,.77,)|
Structure
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