Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587,Q496K]
Ligand
BDBM293269
Substrate
n/a
Meas. Tech.
Inhibition of HIV Replication
pH
7.55±n/a
EC50
<100±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:
BDBM293269
Synonyms:
US10106504, Example 6
Type:
Small organic molecule
Emp. Form.:
C37H39F2NO5
Mol. Mass.:
615.7061
SMILES:
Cc1nc(C)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O |r,wD:36.41,(6.34,-3.21,;5,-2.44,;3.67,-3.21,;2.34,-2.44,;1,-3.21,;2.34,-.9,;1,-.13,;.23,1.2,;-1.31,1.2,;-2.08,-.13,;-3.62,-.13,;-4.39,-1.46,;-5.93,-1.46,;-6.7,-2.8,;-8.24,-2.8,;-9.01,-4.13,;-8.24,-5.47,;-9.01,-6.8,;-6.7,-5.47,;-5.93,-4.13,;-1.31,-1.46,;.23,-1.46,;3.67,-.13,;3.67,1.41,;5,2.18,;5,3.72,;6.34,4.49,;3.67,4.49,;3.67,6.03,;2.34,6.8,;1,6.03,;1,4.49,;2.34,3.72,;2.34,2.18,;1,1.41,;5,-.9,;6.34,-.13,;6.34,1.41,;7.67,2.18,;9.01,1.41,;7.67,3.72,;9.01,2.95,;7.67,-.9,;9.01,-.13,;7.67,-2.44,)|
Structure:
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