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Target
Envelope glycoprotein gp160
Ligand
BDBM299231
Substrate
n/a
Meas. Tech.
Infectivity Assay
EC50
4.00±n/a nM
Citation
 Connolly, TP; D Andrea, S; Kadow, JF; Langley, DR; Naidu, BN; Patel, M; Peese, K; Walker, MA; Wang, Z; Zheng, ZB Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication US Patent  US10125148 Publication Date 11/13/2018 
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:
BDBM299231
Synonyms:
US10125148, Example 25
Type:
Small organic molecule
Emp. Form.:
C44H59N5O6
Mol. Mass.:
753.9692
SMILES:
C[C@H]1CCCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2cc(ccc2O1)C(=O)NCCC(C)(C)C |r|
Structure:
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