Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProtease
LigandBDBM126692
Substrate/Competitorn/a
Meas. Tech.Alphascreen Assay
pH7.4±n/a
Temperature277.15±n/a K
IC50 370±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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM126692
n/a
NameBDBM126692
Synonyms:US8785638, 190
TypeSmall organic molecule
Emp. Form.C29H30N2O4S
Mol. Mass.502.624
SMILESCc1nc2sc3CCCCc3c2c(-c2ccc3OCCc4ccnc2c34)c1C(OC(C)(C)C)C(O)=O |(3.1,-5,;1.77,-4.23,;.43,-5,;-.9,-4.23,;-2.37,-4.71,;-3.27,-3.47,;-4.8,-3.3,;-5.43,-1.9,;-4.52,-.65,;-2.99,-.81,;-2.37,-2.22,;-.9,-2.69,;.43,-1.93,;.43,-.38,;1.77,.38,;1.77,1.93,;.43,2.69,;.43,4.23,;-.9,5,;-2.24,4.23,;-2.24,2.69,;-3.57,1.93,;-3.57,.38,;-2.24,-.38,;-.9,.38,;-.9,1.93,;1.77,-2.69,;2.85,-1.61,;2.45,-.12,;3.54,.97,;3.14,2.46,;5.03,.57,;4.63,2.06,;4.34,-2,;4.74,-3.49,;5.43,-.91,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: