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Target
Envelope glycoprotein gp160
Ligand
BDBM272530
Substrate
n/a
Meas. Tech.
Infectivity Assay
EC50
19.0±n/a nM
Citation
 Connolly, TP; Eastman, KJ; Naidu, BN; Peese, K Imidazo[1,2-A]pyridine derivatives for use as inhibitors of human immunodeficiency virus replication US Patent  US10065953 Publication Date 9/4/2018 
Target
Name:
Envelope glycoprotein gp160
Synonyms:
ENV_HV1BR | Env polyprotein | env
Type:
PROTEIN
Mol. Mass.:
97512.49
Organism:
Human immunodeficiency virus type 1 (isolate BRU/LAI group M subtypeB) (HIV-1)
Description:
ChEMBL_536779
Residue:
861
Sequence:
MRVKEKYQHLWRWGWKWGTMLLGILMICSATEKLWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEVVLVNVTENFNMWKNDMVEQMHEDIISLWDQSLKPCVKLTPLCVSLKCTDLGNATNTNSSNTNSSSGEMMMEKGEIKNCSFNISTSIRGKVQKEYAFFYKLDIIPIDNDTTSYTLTSCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGTGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEEVVIRSANFTDNAKTIIVQLNQSVEINCTRPNNNTRKSIRIQRGPGRAFVTIGKIGNMRQAHCNISRAKWNATLKQIASKLREQFGNNKTIIFKQSSGGDPEIVTHSFNCGGEFFYCNSTQLFNSTWFNSTWSTEGSNNTEGSDTITLPCRIKQFINMWQEVGKAMYAPPISGQIRCSSNITGLLLTRDGGNNNNGSEIFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKAKRRVVQREKRAVGIGALFLGFLGAAGSTMGARSMTLTVQARQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAVERYLKDQQLLGIWGCSGKLICTTAVPWNASWSNKSLEQIWNNMTWMEWDREINNYTSLIHSLIEESQNQQEKNEQELLELDKWASLWNWFNITNWLWYIKIFIMIVGGLVGLRIVFAVLSIVNRVRQGYSPLSFQTHLPTPRGPDRPEGIEEEGGERDRDRSIRLVNGSLALIWDDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWEALKYWWNLLQYWSQELKNSAVSLLNATAIAVAEGTDRVIEVVQGACRAIRHIPRRIRQGLERILL
  
Inhibitor
Name:
BDBM272530
Synonyms:
US10065953, Example 12 | US10065953, Example 13
Type:
Small organic molecule
Emp. Form.:
C37H32FN3O4
Mol. Mass.:
601.6661
SMILES:
Cc1cc2nc(cn2c(c1[C@H](OC(C)(C)C)C(O)=O)-c1ccc2OCCc3ccnc1c23)-c1cccc(c1)-c1ccc(F)cc1 |r,wD:10.12,(5.32,1.7,;3.98,2.47,;2.65,1.7,;1.32,2.47,;-.15,1.99,;-1.05,3.24,;-.15,4.48,;1.32,4.01,;2.65,4.78,;3.98,4.01,;5.32,4.78,;5.32,6.32,;6.65,7.09,;7.98,7.86,;6.65,8.63,;7.98,6.32,;6.65,4.01,;7.98,4.78,;6.65,2.47,;2.65,6.32,;3.98,7.09,;3.98,8.63,;2.65,9.4,;2.65,10.94,;1.32,11.71,;-.02,10.94,;-.02,9.4,;-1.35,8.63,;-1.35,7.09,;-.02,6.32,;1.32,7.09,;1.32,8.63,;-2.59,3.24,;-3.36,1.91,;-4.9,1.91,;-5.67,3.24,;-4.9,4.57,;-3.36,4.57,;-5.67,5.91,;-4.9,7.24,;-5.67,8.57,;-7.21,8.57,;-7.98,9.91,;-7.98,7.24,;-7.21,5.91,)|
Structure:
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