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Target
Envelope glycoprotein gp160
Ligand
BDBM271435
Substrate
n/a
Meas. Tech.
MT4 Cell Antiviral Assay
EC50
130±n/a nM
Citation
 Johns, BA Compounds and compositions for treating HIV with derivatives of Betulin US Patent  US10064873 Publication Date 9/4/2018 
Target
Name:
Envelope glycoprotein gp160
Synonyms:
Env polyprotein | NL4-3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
97031.14
Organism:
Human immunodeficiency virus type 1 (isolate BRU/LAI group M subtypeB) (HIV-1)
Description:
n/a
Residue:
854
Sequence:
MRVKEKYQHLWRWGWKWGTMLLGILMICSATEKLWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEVVLVNVTENFNMWKDDMVEQMHEDIISLWDQSLKPCVKLTPLCVSLKCTDLKNDTNTNSSSGRMIMEKGEIKNCSFNISTSIRDKVQKEYAFFYKLDIVPIDNTSYRLISCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGTGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEDVVIRSANFTDNAKTIIVQLNTSVEINCTRPNNNTRKSIRIQRGPGRAFVTIGKIGNMRQAHCNISRAKWNATLKQIASKLREQFGNNKTIIFKQSSGGDPEIVTHSFNCGGEFFYCNSTQLFNSTWFNSTWSTEGSNNTEGSDTITLPCRIKQFINMWQEVGKAMYAPPISGQIRCSSNITGLLLTRDGGNNNNGSEIFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKAKRRVVQREKRAVGIGALFLGFLGAAGSTMGAASMTLTVQARQLLSDIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAVERYLKDQQLLGIWGCSGKLICTTAVPWNASWSNKSLEQIWNNMTWMEWDREINNYTSLIHSLIEESQNQQEKNEQELLELDKWASLWNWFNITNWLWYIKLFIMIVGGLVGLRIVFAVLSIVNRVRQGYSPLSFQTHLPIPRGPDRPEGIEEEGGERGRDRSIRLVNGSLALIWDDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWEALKYWWNLLQYWSQELKNSAVNLLNATAIAVAEGTDRVIEVLQAAYRAIRHIPRRIRQGLERILL
  
Inhibitor
Name:
BDBM271435
Synonyms:
4- {[(1R,2R,10S,13R,14R, 17S,19R)-5-[(5R)-3-[1-(5- chloropyrimidin-2- yl)cyclopropyl]-2-oxo-1,3- oxazolidin-5-yl]- 1,2,14,18,18- pentamethyl-7-oxo-8- (propan-2- yl)pentacyclo[11.8.0.0{circumflex over ()} {2,10}.0{circumflex over ()}{5,9}.0{circumflex over ()}{14,19}] henicos-8-en-17-yl]oxy}- 2,2-dimethyl-4- oxobutanoic acid | US10064873, Example 61
Type:
Small organic molecule
Emp. Form.:
C45H62ClN3O7
Mol. Mass.:
792.443
SMILES:
[H][C@]1(CN(C(=O)O1)C1(CC1)c1ncc(Cl)cn1)[C@]12CC(=O)C(C(C)C)=C1[C@@]1([H])CC[C@]3([H])[C@@]4(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2 |r,c:27|
Structure:
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