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Target
Envelope glycoprotein gp160
Ligand
BDBM271438
Substrate
n/a
Meas. Tech.
MT4 Cell Antiviral Assay
EC50
7.20±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:
BDBM271438
Synonyms:
4- (((3aR,5aR,5bR,7aR,9S, 11aR,11bR,13aS)-3a- ((S)-2-(3,4- dihydroisoquinolin-2(1H)- yl)-1-hydroxyethyl)-1- isopropyl-5a,5b,8,8,11a- pentamethyl-2-oxo- 3,3a,4,5,5a,5b,6,7,7a,8,9, 10,11,11a,11b,12,13,13a- octadecahydro-2H- cyclopenta[a]chrysen-9- yl)oxy)-2,2-dimethyl-4- oxobutanoic acid | US10064873, Example 64
Type:
Small organic molecule
Emp. Form.:
C46H67NO6
Mol. Mass.:
730.0273
SMILES:
[H][C@]12CC[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)CC[C@]1(CC(=O)C(C(C)C)=C21)[C@H](O)CN1CCc2ccccc2C1 |r,t:44,@:21|
Structure:
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