Reaction Details Report a problem with these data
Target
Envelope glycoprotein gp160
Ligand
BDBM304067
Substrate
n/a
Meas. Tech.
Inhibition of HIV Replication
EC50
<100±n/a nM
Citation
 Kadow, JF; Naidu, BN; Patel, M; Peese, K; Wang, Z Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication US Patent  US10138253 Publication Date 11/27/2018 
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:
BDBM304067
Synonyms:
US10138253, Example 4
Type:
Small organic molecule
Emp. Form.:
C39H47F2N3O6
Mol. Mass.:
691.8038
SMILES:
CCC(C)(C)O[C@H](C(O)=O)c1c(C)c(C)c2nc-3cn2c1N1CCC(C)(CC1)OCCOC[C@H](C)Oc1cc(F)c(F)cc1-c1cccc-3c1 |r|
Structure:
Search PDB for entries with ligand similarity: