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Target
Gag-Pol polyprotein [489-587,Q496K]
Ligand
BDBM293270
Substrate
n/a
Meas. Tech.
Inhibition of HIV Replication
pH
7.55±n/a
EC50
545±n/a nM
Comments
extracted
Citation
 Kadow, JF; Naidu, BN; Tu, Y Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication US Patent  US10106504 Publication Date 10/23/2018 
Target
Name:
Gag-Pol polyprotein [489-587,Q496K]
Synonyms:
HIV-1 Protease Chain A | HIV-1 Protease NL4-3 | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10823.26
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587,Q496K]
Residue:
99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM293270
Synonyms:
US10106504, Example 7
Type:
Small organic molecule
Emp. Form.:
C31H36FNO5
Mol. Mass.:
521.6196
SMILES:
CCOc1ccc(cc1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1C |r,wD:16.17,(-7.47,-3.26,;-5.93,-3.26,;-5.16,-1.93,;-3.62,-1.93,;-2.85,-.59,;-1.31,-.59,;-.54,-1.93,;-1.31,-3.26,;-2.85,-3.26,;.8,-2.7,;.8,-4.24,;-.54,-5.01,;2.13,-5.01,;3.46,-4.24,;4.8,-5.01,;3.46,-2.7,;4.8,-1.93,;4.8,-.39,;6.13,.38,;7.47,-.39,;6.13,1.92,;7.47,1.15,;6.13,-2.7,;7.47,-1.93,;6.13,-4.24,;2.13,-1.93,;2.13,-.39,;3.46,.38,;3.46,1.92,;4.8,2.69,;2.13,2.69,;2.13,4.24,;.8,5.01,;-.54,4.24,;-.54,2.69,;.8,1.92,;.8,.38,;-.54,-.39,)|
Structure:
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