Ki Summary

Reaction Details

Report a problem with these data

Target

Gag-Pol polyprotein

Ligand

BDBM126692

Substrate/Competitor

n/a

Meas. Tech.

Alphascreen Assay

7.4±n/a

Temperature

277.15±n/a K

IC50

370±n/a nM

Citation

Bardiot, D; Chaltin, P; Christ, F; Debyser, Z; De Maeyer, M; Marchand, A; Marchand, D; Voet, 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

Gag-Pol polyprotein

Name:

Gag-Pol polyprotein

Synonyms:

Gag-Pol polyprotein | POL_HV1BR | Protease | gag-pol

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

BDBM126692

n/a

Name

BDBM126692

Synonyms:

US8785638, 190

Type

Small organic molecule

Emp. Form.

C29H30N2O4S

Mol. Mass.

502.624

SMILES

Cc1nc2sc3CCCCc3c2c(-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