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Target
Envelope glycoprotein gp160 [V370A]
Ligand
BDBM271422
Substrate
n/a
Meas. Tech.
MT4 Cell Antiviral Assay
EC50
2.50±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 [V370A]
Synonyms:
Envelope glycoprotein gp160 (V370A) | NL4-3 (V370A) | Q72502_9HIV1 | env
Type:
Enzyme Catalytic Domain
Mol. Mass.:
97003.09
Organism:
Human immunodeficiency virus 1
Description:
Q72502[V370A]
Residue:
854
Sequence:
MRVKEKYQHLWRWGWKWGTMLLGILMICSATEKLWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEVVLVNVTENFNMWKDDMVEQMHEDIISLWDQSLKPCVKLTPLCVSLKCTDLKNDTNTNSSSGRMIMEKGEIKNCSFNISTSIRDKVQKEYAFFYKLDIVPIDNTSYRLISCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGTGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEDVVIRSANFTDNAKTIIVQLNTSVEINCTRPNNNTRKSIRIQRGPGRAFVTIGKIGNMRQAHCNISRAKWNATLKQIASKLREQFGNNKTIIFKQSSGGDPEIATHSFNCGGEFFYCNSTQLFNSTWFNSTWSTEGSNNTEGSDTITLPCRIKQFINMWQEVGKAMYAPPISGQIRCSSNITGLLLTRDGGNNNNGSEIFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKAKRRVVQREKRAVGIGALFLGFLGAAGSTMGAASMTLTVQARQLLSDIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAVERYLKDQQLLGIWGCSGKLICTTAVPWNASWSNKSLEQIWNNMTWMEWDREINNYTSLIHSLIEESQNQQEKNEQELLELDKWASLWNWFNITNWLWYIKLFIMIVGGLVGLRIVFAVLSIVNRVRQGYSPLSFQTHLPIPRGPDRPEGIEEEGGERGRDRSIRLVNGSLALIWDDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWEALKYWWNLLQYWSQELKNSAVNLLNATAIAVAEGTDRVIEVLQAAYRAIRHIPRRIRQGLERILL
  
Inhibitor
Name:
BDBM271422
Synonyms:
4- (((3aR,5aR,5bR,7aR, 9S,11aR,11bR,13aS)- 3a-((R)-2-((3- Chlorobenzyl)(2- (dimethylamino)ethyl) amino)-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 45
Type:
Small organic molecule
Emp. Form.:
C48H73ClN2O6
Mol. Mass.:
809.556
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)CN(CCN(C)C)Cc1cccc(Cl)c1 |r,t:44,@:21|
Structure:
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