HIV Protease

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  1. Nelfinavir Mesylate
    CAS: 159989-65-8 EC Number: 663-870-6 Formula: C33H49N3O7S2 Molecular Weight: 663.89
    ● In Stock — US warehouse, ships to EU* Item #: N137745
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    IUPAC Name
    (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolineshow more
    SMILES
    CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O.CS(=O)(=O)O
    InChIKey
    NQHXCOAXSHGTIA-SKXNDZRYSA-N
    InChI
    1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(show more
    Synonyms
    (3S,4aS,8aS)-3-(tert-butylcarbamoyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)buty...
  2. Ritonavir, Cytochrome P450 3A inhibitor
    CAS: 155213-67-5 EC Number: 605-001-5 Formula: C37H48N6O5S2 Molecular Weight: 720.94
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: R126586
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    IUPAC Name
    1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,show more
    SMILES
    CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
    InChIKey
    NCDNCNXCDXHOMX-XGKFQTDJSA-N
    InChI
    1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-2show more
    Synonyms
    2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-di...
  3. Acetyl-Pepstatin
    CAS: 28575-34-0 Formula: C31H57N5O9 Molecular Weight: 643.82
    ● In Stock — US warehouse, ships to EU* Item #: A338138
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    IUPAC Name
    (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylshow more
    SMILES
    CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C)O
    InChIKey
    WKYBEGDEGRCZNF-LBTYKNIQSA-N
    InChI
    1S/C31H57N5O9/c1-15(2)11-21(35-30(44)28(18(7)8)36-31(45)27(17(5)6)33-20(10)37)23(38)13-25(40)32-19(9)29(43)34-22(12-16(3)4)24(39)14-26(41)42/h15-19,21show more
    Synonyms
    S-PI (pepsin inhibitor) | J-017129 | SCHEMBL10777706 | DTXSID70182781 | Pepsin inhibitor (Streptomyces naniwaensis) |...
  4. Lopinavir, Human immunodeficiency virus type 1 protease inhibitor
    CAS: 192725-17-0 EC Number: 844-598-9 Formula: C37H48N4O5 Molecular Weight: 628.8
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: L129320
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    IUPAC Name
    (2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
    SMILES
    CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)O
    InChIKey
    KJHKTHWMRKYKJE-SUGCFTRWSA-N
    InChI
    1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27show more
    Synonyms
    ABT-378 | (2S)-N-[(2R,4S,5S)-5-[[2-(2,6-DIMETHYLPHENOXY)ACETYL]AMINO]-4-HYDROXY-1,6-DIPHENYL-HEXAN-2-YL]-3-METHYL-2-(...
  5. Pepstatin
    CAS: 26305-03-3 EC Number: 247-600-0 Formula: C34H63N5O9 Molecular Weight: 685.89
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥75%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: P113168
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    IUPAC Name
    (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]hshow more
    SMILES
    CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
    InChIKey
    FAXGPCHRFPCXOO-LXTPJMTPSA-N
    InChI
    1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/show more
    Synonyms
    EX-A4027 | MLS000069747 | PEPSTATIN [INN] | 4er2 | AC-8820 | KBioGR_000340 | MLS006010748 | NCGC00161670-06 | Procidi...
  6. Lopinavir
    CAS: 192725-17-0 EC Number: 844-598-9 Formula: C37H48N4O5 Molecular Weight: 628.8
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ● In Stock — US warehouse, ships to EU* Item #: L299096
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    IUPAC Name
    (2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
    SMILES
    CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)O
    InChIKey
    KJHKTHWMRKYKJE-SUGCFTRWSA-N
    InChI
    1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27show more
    Synonyms
    ABT-378 | (2S)-N-[(2R,4S,5S)-5-[[2-(2,6-DIMETHYLPHENOXY)ACETYL]AMINO]-4-HYDROXY-1,6-DIPHENYL-HEXAN-2-YL]-3-METHYL-2-(...
  7. Amprenavir, Human immunodeficiency virus type 1 protease inhibitor
    CAS: 161814-49-9 EC Number: 827-179-5 Formula: C25H35N3O6S Molecular Weight: 505.63
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    IUPAC Name
    [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
    SMILES
    CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N
    InChIKey
    YMARZQAQMVYCKC-OEMFJLHTSA-N
    InChI
    1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,2show more
    Synonyms
    4-Amino-N-((2syn,3S)-2-hydroxy-4-phenyl-3-((S)-tetrahydrofuran-3-yloxycarbonylamino)-butyl)-N-isobuty lbenzene sul...
  8. Atazanavir Sulfate, Human immunodeficiency virus type 1 protease inhibitor
    CAS: 229975-97-7 PubChem CID: 158550 Formula: C38H52N6O7.H2SO4 Molecular Weight: 802.93
    ● In Stock — US warehouse, ships to EU* Item #: A129321
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    IUPAC Name
    methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hyshow more
    SMILES
    CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC.OS(=O)(=O)O
    InChIKey
    DQSGVVGOPRWTKI-QVFAWCHISA-N
    InChI
    1S/C38H52N6O7.H2O4S/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-show more
    Synonyms
    ATAZANAVIR SO4 [VANDF] | ATAZANAVIR SULFATE [USP-RS] | Q27114238 | Reyataz | AMY36999 | SCHEMBL341700 | ATAZANAVIR SU...
  9. Darunavir, Human immunodeficiency virus type 1 protease inhibitor
    CAS: 206361-99-1 EC Number: 606-590-1 Formula: C27H37N3O7S Molecular Weight: 547.66
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: D125841
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    IUPAC Name
    [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]show more
    SMILES
    CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N
    InChIKey
    CJBJHOAVZSMMDJ-HEXNFIEUSA-N
    InChI
    1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31show more
    Synonyms
    AIDS073035 | s5250 | NCGC00168773-01 | BCP0726000058 | BDBM8125 | Darunavirum [INN-Latin] | HSDB 7788 | 2ien | Daruna...
  10. Atazanavir
    CAS: 198904-31-3 EC Number: 812-543-8 Formula: C38H52N6O7 Molecular Weight: 704.86
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: A125825
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    IUPAC Name
    methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hyshow more
    SMILES
    CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC
    InChIKey
    AXRYRYVKAWYZBR-GASGPIRDSA-N
    InChI
    1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-show more
    Synonyms
    Tox21_113081 | 3,4-Dinitrobenzylalcohol | AMY31160 | atazanavirum | methyl ((5S,8S,9S,14S)-8-benzyl-5-(tert-butyl)-9-...
  11. Saquinavir, Human immunodeficiency virus type 1 protease inhibitor
    CAS: 127779-20-8 PubChem CID: 441243 Formula: C38H50N6O5 Molecular Weight: 670.84
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: S126514
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    IUPAC Name
    (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-show more
    SMILES
    CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O
    InChIKey
    QWAXKHKRTORLEM-UGJKXSETSA-N
    InChI
    1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-show more
    Synonyms
    SAQUINAVIR [JAN] | (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phe...
  12. Tipranavir, Human immunodeficiency virus type 1 protease inhibitor
    CAS: 174484-41-4 EC Number: 629-839-6 PubChem CID: 54682461 Formula: C31H33F3N2O5S Molecular Weight: 602.66
    ● In Stock — US warehouse, ships to EU* Item #: T125018
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    IUPAC Name
    N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
    SMILES
    CCCC1(CC(=C(C(=O)O1)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4
    InChIKey
    SUJUHGSWHZTSEU-FYBSXPHGSA-N
    InChI
    1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-show more
    Synonyms
    HSDB 8083 | N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl]phenyl}-5-...
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Frequently Asked Questions

What can I find under HIV Protease?
This listing collects compounds associated with HIV Protease within our Metabolic Enzyme/Protease area — inhibitors, agonists or antagonists, and reference tool compounds. Each entry links to its structure, CAS number, and reported activity so you can confirm the annotation before ordering.
What should I consider when picking a compound for HIV Protease?
Consider the reported potency of each HIV Protease compound and the assay behind it, selectivity against closely related targets, cell permeability if you are working in cells, and stability in your buffer. Two chemically distinct compounds giving the same phenotype is much stronger evidence than one.
What quality information is provided for HIV Protease compounds?
Each HIV Protease product page lists purity, identity data, molecular formula and weight, and storage conditions, with a lot-specific Certificate of Analysis available. Solubility and handling notes are on the datasheet. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
Can I search HIV Protease compounds by activity or structure?
Yes. Filter the HIV Protease listing by mechanism — inhibitor, agonist, antagonist — and search by target name or gene symbol, CAS number, molecular formula, or SMILES to reach exact structures and close analogs. For bulk quantities or items not listed, contact [email protected].

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