General Information of the Protein
Protein ID
PT00004
Protein Name
Pol polyprotein
Gene Name
POL
Sequence
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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Organism
Human immunodeficiency virus 1
Protein Classification
Enzyme
>
Protease
>
Aspartic protease
>
Aspartic protease AA clan
>
Aspartic protease A2A subfamily
Uniprot ID
Q72874
Map of Molecular Bioactivity Related to the Protein
Map of Molecular Bioactivity Related to the Protein

Protein
Cell Line
Compound

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Protein
Cell Line ID: CL000108 , CCRF-CEM
Compound ID Compound Name Compound Formula
CP0122475
methyl (2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]-prop-2-enylamino]propanoyl]amino]pentanoyl]amino]butanoate
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C38H60N6O9
 1
1
IC50 = 3892.983233 nM
   TI
   LI
   LO
   TS
CP0296159
methyl (2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-prop-2-enylamino]propanoyl]amino]pentanoyl]amino]butanoate
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C32H50N4O7
 1
1
IC50 > 16590.07582 nM
   TI
   LI
   LO
   TS
CP0182290
methyl (2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]-prop-2-enylamino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
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C40H63N7O11
 1
1
IC50 > 24450.47556 nM
   TI
   LI
   LO
   TS
CP0217312
methyl (2S)-2-[[(2S,3S)-2-[[2-[2,3-dichloropropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
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C31H48Cl2N4O7
 1
1
IC50 > 50481.31585 nM
   TI
   LI
   LO
   TS
CP0046266
methyl (2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoyl]-prop-2-enylamino]acetyl]amino]pentanoyl]amino]butanoate
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C34H53N5O8
 1
1
IC50 = 54104.84519 nM
   TI
   LI
   LO
   TS
CP0105952
methyl (2S)-2-[[(2S,3S)-2-[[2-[2,3-dibromopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
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C31H48Br2N4O7
 1
1
IC50 = 56789.7936 nM
   TI
   LI
   LO
   TS
Biochemical Assays
Compound ID Compound Name Compound Formula
CP0040838
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide
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C36H47N5O4
 29
1 IC50 = 0.36 nM
2 IC50 = 0.41 nM
3 IC50 = 0.56 nM
4 IC50 = 0.59 nM
5 IC50 = 0.6 nM
6 IC50 = 1.6 nM
7 IC50 = 20.1 nM
8 IC50 = 35.3 nM
9 IC50 = 43.6 nM
10 IC50 = 61 nM
11 IC50 = 61.2 nM
12 IC50 = 89 nM
13 IC50 = 370 nM
14 Kd = 1.07 nM
15 Ki = 0.07 nM
16 Ki = 0.24 nM
17 Ki = 0.28 nM
18 Ki = 0.31 nM
19 Ki = 0.37 nM
20 Ki = 0.52 nM
21 Ki = 0.6 nM
22 Ki = 0.8 nM
23 Ki = 1.34 nM
24 Ki = 2.51 nM
25 Ki = 7 nM
26 Ki = 10.4 nM
27 Ki = 15 nM
28 Ki = 40 nM
29 Ki = 50 nM
CP0038005
(3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate
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C25H35N3O6S
 15
1 IC50 = 1 nM
2 Kd = 1.1 nM
3 Ki = 0.04 nM
4 Ki = 0.057 nM
5 Ki = 0.08 nM
6 Ki < 0.1 nM
7 Ki = 0.1 nM
8 Ki = 0.15 nM
9 Ki = 0.16 nM
10 Ki = 0.17 nM
11 Ki = 0.21 nM
12 Ki = 0.23 nM
13 Ki = 0.6 nM
14 Ki = 1.4 nM
15 Ki = 1.6 nM
CP0306936
4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-m-tolyl-pyran-2-one
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C21H20O3S
 1
1 IC50 = 14 nM
CP0041607
(AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione
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C10H13N5O4
 2
1 IC50 = 16 nM
2 IC50 = 23 nM
CP0113693
Aptivus
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C31H33F3N2O5S
 2
1 IC50 = 30 nM
2 Ki < 1 nM
CP0811023
5-Cyano-pyridine-2-sulfonic acid {3-[1-((R)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C31H33N3O5S
 1
1 IC50 = 40 nM
CP0685123
5-Cyano-pyridine-2-sulfonic acid {3-[1-((R)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C31H33N3O5S
 3
1 IC50 = 110 nM
2 Ki = 0.04 nM
3 Ki = 0.1 nM
CP0685136
5-Cyano-pyridine-2-sulfonic acid {3-[1-((S)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C31H33N3O5S
 3
1 IC50 = 490 nM
2 Ki = 0.04 nM
3 Ki = 0.1 nM
CP0713224
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C29H35N3O5S
 3
1 IC50 = 500 nM
2 Ki = 1 nM
3 Ki = 1.2 nM
CP0658725
Quinoline-8-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C34H36N2O5S
 3
1 IC50 = 1000 nM
2 Ki = 3 nM
3 Ki = 3.1 nM
CP0674852
4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-benzenesulfonamide
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C32H34N2O5S
 3
1 IC50 = 1100 nM
2 Ki = 8 nM
3 Ki = 8.2 nM
CP0661213
4-Fluoro-N-{3-[1-(4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-benzenesulfonamide
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C31H34FNO5S
 3
1 IC50 = 1200 nM
2 Ki = 6 nM
3 Ki = 6.1 nM
CP0661103
N-{3-[1-(4-Hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-benzenesulfonamide
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C31H35NO5S
 2
1 IC50 = 1600 nM
2 Ki = 17 nM
CP0328607
2-Butanol deriv. 17
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C34H40N2O3
 1
1 IC50 = 11500 nM
CP0371571
2-Butanol deriv. 16
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C30H38N2O3
 1
1 IC50 = 63000 nM
CP0714228
5-Cyano-pyridine-2-sulfonic acid {3-[1-((S)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C31H33N3O5S
 2
1 IC50 > 1000 nM
2 Ki = 0.12 nM
CP0086074
Atazanavir
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C38H52N6O7
 2
1 Kd = 0.4 nM
2 Ki = 0.24 nM
CP0670346
5-Trifluoromethyl-pyridine-2-sulfonic acid {3-[1-((S)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C31H33F3N2O5S
 1
1 Ki = 0.018 nM
CP0370605
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(cyclohexyloxy)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate
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C29H39N3O8S
 1
1 Ki = 0.018 nM
CP0808342
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-((R)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C29H35N3O5S
 1
1 Ki = 0.06 nM
CP0310135
N-alkoxysulfonamide analog 9
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C30H43N3O8S
 1
1 Ki = 0.09 nM
CP0692315
5-Cyano-pyridine-2-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C31H33N3O5S
 1
1 Ki = 0.1 nM
CP0788411
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-((S)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C29H35N3O5S
 1
1 Ki = 0.12 nM
CP0706790
{(1S,2R)-3-[Cyclopentyloxy-(4-methoxy-benzenesulfonyl)-amino]-2-hydroxy-1-phenyl-propyl}-carbamic acid tetrahydro-furan-3-yl ester
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C27H36N2O8S
 1
1 Ki = 0.19 nM
CP0670345
5-Amino-pyridine-2-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-2,2-dimethyl-propyl]-phenyl}-amide
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C32H39N3O5S
 1
1 Ki = 0.2 nM
CP0771905
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-((R)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C29H35N3O5S
 1
1 Ki = 0.3 nM
CP0812076
1-Methyl-1H-imidazole-4-sulfonic acid {3-[cyclopropyl-(4-hydroxy-2-oxo-6,6-dipropyl-5,6-dihydro-2H-pyran-3-yl)-methyl]-phenyl}-amide
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C25H33N3O5S
 1
1 Ki = 0.52 nM
CP0095253
2-Benzyl-5-(10-sec-butyl-9,12-dioxo-2-oxa-8,11-diaza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-13-ylamino)-4-hydroxy-pentanoic acid (2-hydroxy-indan-1-yl)-amide
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C41H54N4O6
 1
1 Ki = 0.6 nM
CP0801491
1-Methyl-1H-imidazole-4-sulfonic acid {3-[cyclopropyl-(4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-methyl]-phenyl}-amide
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C30H35N3O5S
 1
1 Ki = 0.71 nM
CP0147413
4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one
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C18H16O3
 2
1 Ki = 0.8 nM
2 Ki = 1000 nM
CP0648742
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6,6-dipropyl-5,6-dihydro-2H-pyran-3-yl)-2,2-dimethyl-propyl]-phenyl}-amide
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C26H37N3O5S
 1
1 Ki = 0.87 nM
CP0683500
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6,6-diphenethyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C34H37N3O5S
 1
1 Ki = 1 nM
CP0713211
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-((S)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C29H35N3O5S
 1
1 Ki = 1 nM
CP0771894
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-2,2-dimethyl-propyl]-phenyl}-amide
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C31H39N3O5S
 1
1 Ki = 1.2 nM
CP0659942
1-Methyl-1H-imidazole-4-sulfonic acid (3-{1-[6,6-bis-(2-cyclopropyl-ethyl)-4-hydroxy-2-oxo-5,6-dihydro-2H-pyran-3-yl]-propyl}-phenyl)-amide
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C28H37N3O5S
 1
1 Ki = 1.7 nM
CP0098725
(10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE
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C32H48N4O6S
 1
1 Ki = 1.7 nM
CP0724374
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6,6-dipropyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C24H33N3O5S
 1
1 Ki = 1.8 nM
CP0722620
5-Cyano-pyridine-2-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-2,2-dimethyl-propyl]-phenyl}-amide
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C33H37N3O5S
 1
1 Ki = 1.9 nM
CP0720021
5-Nitro-pyridine-2-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-2,2-dimethyl-propyl]-phenyl}-amide
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C32H37N3O7S
 1
1 Ki = 2.3 nM
CP0826059
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6,6-dipentyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C28H41N3O5S
 1
1 Ki = 2.6 nM
CP0212933
tert-butyl N-[(2S)-1-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]anilino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
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C32H40N4O6
 1
1 Ki = 3 nM
CP0724036
1-Methyl-1H-imidazole-4-sulfonic acid [3-(1-{6-[2-(4-fluoro-phenyl)-ethyl]-4-hydroxy-2-oxo-6-propyl-5,6-dihydro-2H-pyran-3-yl}-propyl)-phenyl]-amide
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C29H34FN3O5S
 1
1 Ki = 3 nM
CP0785301
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-(4-hydroxy-6,6-diisobutyl-2-oxo-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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C26H37N3O5S
 1
1 Ki = 3 nM
CP0078416
2-Aminobenzyl-Substituted AHPPA deriv. 1
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C45H55N7O7
 1
1 Ki = 3.4 nM
CP0309996
(2-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester
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C29H38N2O6
 1
1 Ki = 4 nM
CP0680926
5-Trifluoromethyl-pyridine-2-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-2,2-dimethyl-propyl]-phenyl}-amide
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C33H37F3N2O5S
 1
1 Ki = 4.3 nM
CP0288634
({3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester
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C28H36N2O6
 1
1 Ki = 5.5 nM
CP0178456
((S)-1-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester
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C29H38N2O6
 1
1 Ki = 6.9 nM
CP0740732
3-(Cyclopropyl-phenyl-methyl)-2,5,6,7,8,9,10,11-octahydro-cyclonona[b]pyran-4-ol
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C22H28O2
 1
1 Ki = 11.7 nM
CP0654420
4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-2,2-dimethyl-propyl]-phenyl}-benzenesulfonamide
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C34H38N2O5S
 1
1 Ki = 12 nM
CP0114373
(3-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenylcarbamoyl}-propyl)-carbamic acid tert-butyl ester
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C30H40N2O6
 1
1 Ki = 14 nM
CP0189615
((R)-1-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester
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C29H38N2O6
 1
1 Ki = 32 nM
CP0806241
N-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenyl}-2-phenyl-acetamide
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C29H31NO4
 1
1 Ki = 33 nM
CP0777024
4-Hydroxy-6-phenethyl-3-(1-phenyl-propyl)-6-propyl-5,6-dihydro-pyran-2-one
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C25H30O3
 1
1 Ki = 35 nM
CP0748757
N-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenyl}-benzamide
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C28H29NO4
 1
1 Ki = 42 nM
CP0045716
(S)-2-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenylcarbamoyl}-pyrrolidine-1-carboxylic acid tert-butyl ester
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C31H40N2O6
 1
1 Ki = 43 nM
CP0726144
N-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenyl}-4-fluoro-benzamide
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C28H28FNO4
 1
1 Ki = 55 nM
CP0178506
1-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenyl}-3-ethyl-urea
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C24H30N2O4
 1
1 Ki = 72 nM
CP0045712
N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]butanamide
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C25H31NO4
 1
1 Ki = 240 nM
CP0657801
1-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenyl}-3-phenyl-urea
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C28H30N2O4
 1
1 Ki = 450 nM
CP0671238
(E)-N-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenyl}-3-phenyl-acrylamide
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C30H31NO4
 1
1 Ki = 470 nM
CP0269149
2-Butanol deriv. 8
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C26H36N2O3
 1
1 Ki = 20000 nM
Similar Protein(s) and Bioactivity Statistics
100% Identity
Protein ID Protein Name Protein Organism
PT03623 Gag-Pol polyprotein Human immunodeficiency virus type 1 group M subtype B (isolate HXB2), HIV-1