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Target
Envelope glycoprotein gp160
Ligand
BDBM299223
Substrate
n/a
Meas. Tech.
Infectivity Assay
EC50
9.00±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:
BDBM299223
Synonyms:
US10125148, Example 17
Type:
Small organic molecule
Emp. Form.:
C37H43FN4O5
Mol. Mass.:
642.7595
SMILES:
C[C@@H]1Oc2cc(C)cc(F)c2-c2cccc(c2)-c2cc3nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(N4CCC(C)(CC4)OC\C=C\1)n3n2 |r,t:46|
Structure:
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