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hydrophobic pocket

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Cat. No. Product Name Target Research Areas Chemical Structure
  • HY-147411

    MK-8507

    Reverse Transcriptase HIV Infection
    Ulonivirine is an orally active non-nucleoside HIV-1 reverse transcriptase inhibitor that binds to the classical non-nucleoside reverse transcriptase inhibitor hydrophobic binding pocket adjacent to the polymerase active site of HIV-1 reverse transcriptase. Ulonivirine can be used in studies related to HIV-1 infection .
    Ulonivirine
  • HY-W009123

    cis-13-Docosenamide

    Endogenous Metabolite Bacterial Infection Neurological Disease
    Erucamide is an orally active, blood-brain barrier-permeable TMEM19 ligand and T3SS inhibitor. Erucamide exerts retinal neuroprotective effects in mouse models of retinal degeneration. Erucamide attenuates depression- and anxiety-like behaviors in mice.\n\nErucamide binds to the conserved hydrophobic pocket in HrcC, disrupts its outer membrane localization, and blocks T3SS-mediated effector protein secretion in Gram-negative pathogenic bacteria. Erucamide enhances the antimicrobial immunity of plants against pathogenic bacteria. Erucamide can be used in research related to retinitis pigmentosa, anxiety and depression, bacterial wilt, and bacterial blight .
    Erucamide
  • HY-N2204

    Tyrosinase Reactive Oxygen Species (ROS) Inflammation/Immunology
    Swertiajaponin is a tyrosinase inhibitor, forms multiple hydrogen bonds and hydrophobic interactions with the binding pocket of tyrosinase, with an IC50 of 43.47 μM. Swertiajaponin also inhibits oxidative stress-mediated MAPK/MITF signaling, leading to decrease in tyrosinase protein level. Swertiajaponin suppresses melanin accumulation and exhibits strong anti-oxidative activity .
    Swertiajaponin
  • HY-147255

    ZM-H1505R

    HBV Infection
    Canocapavir (ZM-H1505R) is an orally active HBV core protein-targeting antiviral agent. Canocapavir binds to the hydrophobic pocket at the dimer-dimer interface of HBV core protein (HBc), stimulating intracellular accumulation of nonfunctional HBV capsids, disrupting viral replication. Canocapavir interferes with the interaction between HBc and HBV large surface protein, resulting in diminished
    production of empty virionsis. Canocapavir can be used for the research of hepatitis B virus (HBV) infection .
    Canocapavir
  • HY-70005
    CPA inhibitor
    3 Publications Verification

    Carboxypeptidase inhibitor

    Carboxypeptidase Wnt β-catenin Inflammation/Immunology
    CPA inhibitor (Compound 5) (Carboxypeptidase inhibitor) is an orally active competitive carboxypeptidase A (CPA) inhibitor with a Ki value of 0.32 μM. CPA inhibitor blocks the activity of carboxypeptidase A3 (CPA3). CPA activator activates the Wnt/Lrp6/β-catenin signaling pathway. CPA inhibitor reduces epithelial damage. CPA inhibitor is applicable to research related to inflammatory bowel disease, including ulcerative colitis and Crohn's disease .
    CPA inhibitor
  • HY-163644

    YAP Cancer
    VT-105 is a TEAD inhibitor and VT104 (HY-134956) analog. VT-105 binds to the central hydrophobic pocket of the TEAD3 protein. VT-105 can be used in the research of NF2-deficient malignant mesothelioma .
    VT-105
  • HY-W014223

    Ultraviolet absorber UV-0

    Environmental Pollutants Toll-like Receptor (TLR) NF-κB Reactive Oxygen Species (ROS) MyD88 IRAK Inflammation/Immunology
    2,4′-Dihydroxybenzophenone (Ultraviolet absorber UV-0) occupies the hydrophobic pocket of MD2 and blocks the dimerization of TLR4. 2,4′-Dihydroxybenzophenone inhibits the LPS induced mtROS production, and LPS induced inflammatory response by downregulating pro-inflammatory mediators and decreasing the expression of MyD88, p-IRAK4, and NF-κB. 2,4′-Dihydroxybenzophenone is also a UV absorber .
    2,4′-Dihydroxybenzophenone
  • HY-173008

    Apoptosis YTHDF Cancer
    YTHDF2-IN-1 (Compound CK-75) is a selective YTHDF2 inhibitor (Kd = 26.2 μM). YTHDF2-IN-1 binds to a small hydrophobic pocket on the YTH domain of YTHDF2, disrupting the interaction between YTHDF2 and m 6A-modified RNA. YTHDF2-IN-1 induces cell cycle arrest and Apoptosis. YTHDF2-IN-1 is applicable to research on chronic myeloid leukemia, colon cancer and choriocarcinoma .
    YTHDF2-IN-1
  • HY-D1190

    RAR/RXR Others
    DC271 is a RAR agonist and synthetic retinoid that binds to the retinoid-binding site of cellular retinoic acid-binding protein II (CRBP-II). DC271 exhibits solvatochromic fluorescence properties: it produces intense blue-shifted emission in nonpolar environments and weak red-shifted emission in polar environments, and its severe fluorescence quenching in aqueous solutions can be reversed by embedding in the hydrophobic retinoid-binding protein pocket. DC271 enables direct detection of the binding between unlabeled compounds and related retinoid-binding proteins via fluorescence competition assays (Ex/Em = 355 nm/460 nm) .
    DC271
  • HY-123045

    CDK Cancer
    PNU-292137 is an orally active, potent CDK2 inhibitor with IC50s of 37 nM and 92 nM for CDK2/cyclin A and CDK2/cyclin E, respectively. PNU-292137 makes interactions with the hydrophobic pocket at the back of the CDK2 ATP pocket. PNU-292137 efficiently inhibits tumor cell proliferation in human colon and prostate tumor cell lines. PNU-292137 exhibits antitumor activity (TGI>50%) in a mouse xenograft model .
    PNU-292137
  • HY-N15451

    Pyruvate Kinase Infection
    Deoxytopsentin (compound 5) is a marine bisindole alkaloid and also a MRSA pyruvate kinase inhibitor. Deoxytopsentin exists in sponges. Deoxytopsentin exhibits antibacterial activity against methicillin-resistant Staphylococcus aureus strains in vitro .
    Deoxytopsentin
  • HY-157480

    EGFR Aurora Kinase Cancer
    EGFR/AURKB-IN-1 (compound 7) is a dual-targeted EGFR/AURKB inhibitor, and inhibits the phpsphorylations of L858R EGFR and AURKB with IC50s of 0.07 and 1.1, respectively. EGFR/AURKB-IN-1 occupies the hydrophobic region I or the αC-helix out pocket of EGFR and the back pocket of AURKB, inhibiting the growth, division and metastasis of tumor cells, thus can be used for cancer research .
    EGFR/AURKB-IN-1
  • HY-121900

    PPAR Metabolic Disease Endocrinology
    LT175, a dual PPARα/γ ligand, is an orally active partial agonist against PPARγ(hPPARα:EC50=0.22 μm; mPPARα:EC50=0.26 μm; hPPARγ:EC50=0.48 μm). LT175 interacts with PPARγ and affects the recruitment of the coregulators cyclic-AMP response element-binding protein-binding protein and nuclear corepressor 1 (NCoR1). LT175 interacts with PPARγ in a hydrophobic region called “diphenyl pocket”. LT175 has potent insulin-sensitizing effects and reduced adipogenic properties .
    LT175
  • HY-146814

    Filovirus Infection
    EBOV/MARV-IN-3 (compound 32) is a potent EBOV and MARV inhibitor with IC50 values of 0.5, 1.2 µM, respectively. EBOV/MARV-IN-3 binds to the hydrophobic pocket close to EBOV Y517. EBOV/MARV-IN-3 shows antiviral activity .
    EBOV/MARV-IN-3
  • HY-131976

    Flavivirus Infection
    BVDV-IN-1 is a non-nucleoside inhibitor (NNI) of bovine viral diarrhea virus (BVDV), with an EC50 of 1.8 μM. BVDV-IN-1 directly binds to a hydrophobic pocket of the BVDV RdRp. BVDV-IN-1 has antiviral activity against BVDV resistant to NNI thiosemicarbazone (TSC) .
    BVDV-IN-1
  • HY-162512

    CCR HIV Infection
    CB-0821 is a high affinity CCR5 inhibitor with a Ki of 0.04 nM. CB-0821 binds efficiently to the hydrophobic pocket of the CCR5 protein, to inhibit the interactions between viral protein and CCR5, thereby inhibiting viral entry. CB-0821 has the potential for anti-HIV research .
    CB-0821
  • HY-164523

    Checkpoint Kinase (Chk) Cancer
    PV1162 is a selective Chk2 inhibitor with an IC50 of 0.29 nM. PV1162 inhibits ATP binding to Chk2 by targeting the gatekeeper-dependent hydrophobic pocket, which is specific to Chk2 and located behind the ATP-binding site (adenine-binding region), thereby inhibiting the phosphorylation activity of Chk2. PV1162 holds potential application value in the field of cancer therapy .
    PV1162
  • HY-178343

    Aurora Kinase Apoptosis Cancer
    Aurora A-IN-5 is a potent and highly selective Aurora A inhibitor (IC50 = 0.02 μM), showing 362-fold selectivity for over Aurora B. Aurora A-IN-5 shows its selectivity through unique C−H/π interactions, enhanced hydrophobic contacts, an open binding pocket, and tighter protein packing. Aurora A-IN-5 suppresses Aurora A autophosphorylation, thereby inhibiting cancer cell proliferation by inducing G2/M phase arrest, triggering apoptosis, and suppressing colony formation. Aurora A-IN-5 inhibits tumor growth in MDA-MB-231 xenograft mouse models. Aurora A-IN-5 can be used for breast, cervical, prostate, and lymphoma cancer research .
    Aurora A-IN-5
  • HY-164645

    Ras Cancer
    pan-KRAS-IN-16 (Compound 3344) is an anti-RAS small molecule derived from an intracellular antibody fragment with pan-RAS-effector protein-protein interaction inhibitor properties. pan-KRAS-IN-16 binds to a hydrophobic pocket near to the effector-binding switch regions of RAS. pan-KRAS-IN-16 prevents endogenous RAS-dependent signaling in tumor cell lines .
    pan-KRAS-IN-16
  • HY-169300

    Phosphodiesterase (PDE) Inflammation/Immunology
    KR-40795 is a potent inhibitor of ATX (autotaxin), with the IC50 of 0.13 μM. KR-40795 plays an important role for liver diseases .
    KR-40795
  • HY-172597

    MDM-2/p53 CDK Apoptosis Cancer
    YL-1-9 is an inhibitor of the degradation of p53 by MDM2 through strong binding to the key hydrophobic pockets of MDM2. YL-1-9 induces cell cycle arrest and apoptosis in breast cancer cells .
    YL-1-9
  • HY-151437

    Fungal Infection
    Antifungal agent 40 is an antifungal agent which extends into the narrow hydrophobic pocket II of C.alb. CYP51. Antifungal agent 40 has an inhibitory effect on lanosterol 14α-demethylase (CYP51). Antifungal agent 40 inhibits biofilm formation .
    Antifungal agent 40
  • HY-126230

    Endogenous Metabolite Others
    PAT-494 is an ATX inhibitor with significant activity in biochemical and plasma assays. PAT-494 can reduce LPA levels in rat plasma through oral administration. The structure-activity relationship study of PAT-494 shows that its binding mode with ATX is novel and it can effectively occupy the hydrophobic pockets and channels of ATX .
    PAT-494
  • HY-156405

    Fat Mass and Obesity-associated Protein (FTO) Autophagy Metabolic Disease
    FTO-IN-10 (compound 7) is a potent human demethylase FTO (the fat mass and obesity-associated protein) inhibitor with an IC50 of 4.5 μM. FTO-IN-10 enters the FTO’s structural domain II binding pocket through hydrophobic and hydrogen bonding interactions. FTO-IN-10 induces DNA damage and autophagic cell death in A549 cells .
    FTO-IN-10
  • HY-168923

    Enterovirus Infection
    HR-568 exhibits broad-spectrum anti-enterovirus activity. HR-568 inhibits enterovirus species EV-A71, E30 and CVA24 in cell MRC-5 with EC50 of 1.53 μM, 0.4 μM and 1.22 μM. HR-568 targets hydrophobic canyon pocket on the enterovirus capsid protein, and inhibits the virus replication .
    HR-568
  • HY-159920

    Orphan Nuclear Receptor Neurological Disease Inflammation/Immunology
    PSB-22269 is a GPR17 antagonist with a Ki value of 8.91 nM. PSB-22269 further demonstrated significant inhibitory effects in cAMP and G protein activation assays. Molecular docking studies revealed that the binding site of PSB-22269 contains positively charged arginine residues and a hydrophobic pocket. PSB-22269 provides a strategy to promote remyelination and holds promise for research in the field of multiple sclerosis .
    PSB-22269
  • HY-120646

    PD-1/PD-L1 Others
    BMS-242 is a small molecule PD-1/PD-L1 inhibitor with the activity of inhibiting the PD-1/PD-L1 interaction. BMS-242 can bind to the hydrophobic channel pocket between PD-L1 molecules, inhibit the PD-1/PD-L1 immune checkpoint pathway, and provide a new way for cancer inhibition.
    BMS-242
  • HY-147255A

    (S)-ZM-H1505R

    HBV Infection
    (S)-Canocapavir is the isomer of Canocapavir (HY-147255A). Canocapavir (ZM-H1505R) is an orally active HBV core protein-targeting antiviral agent. Canocapavir binds to the hydrophobic pocket at the dimer-dimer interface of HBV core protein (HBc), stimulating intracellular accumulation of nonfunctional HBV capsids, disrupting viral replication. Canocapavir interferes with the interaction between HBc and HBV large surface protein, resulting in diminished
    production of empty virionsis. Canocapavir can be used for the research of hepatitis B virus (HBV) infection .
    (S)-Canocapavir
  • HY-W014223R

    Ultraviolet absorber UV-0 (Standard)

    Reference Standards Toll-like Receptor (TLR) Reactive Oxygen Species (ROS) MyD88 IRAK NF-κB Inflammation/Immunology
    2,4′-Dihydroxybenzophenone (Standard) is the analytical standard of 2,4′-Dihydroxybenzophenone. This product is intended for research and analytical applications. 2,4′-Dihydroxybenzophenone (Ultraviolet absorber UV-0) occupies the hydrophobic pocket of MD2 and blocks the dimerization of TLR4. 2,4′-Dihydroxybenzophenone inhibits the LPS induced mtROS production, and LPS induced inflammatory response by downregulating pro-inflammatory mediators and decreasing the expression of MyD88, p-IRAK4, and NF-κB. 2,4′-Dihydroxybenzophenone is also a UV absorber .
    2,4′-Dihydroxybenzophenone (Standard)
  • HY-122204

    HIV Infection
    5M038 is an inhibitor of HIV envelope-mediated fusion with potent inhibitory activity against gp41-mediated membrane fusion. 5M038 prevents the formation of the gp41 post-fusion conformation and inhibits envelope-mediated membrane fusion in cell-cell fusion and viral infectivity assays. 5M038 has shown broad fusion inhibition in tests against multiple HIV-1 subtypes, including M and T strains. 5M038 targets a highly conserved hydrophobic pocket and binds to the gp41 trimer, thereby exerting its inhibitory effect .
    5M038
  • HY-126229

    Phosphodiesterase (PDE) Cancer
    PAT-078 is a type II autotaxin (ATX) inhibitor. PAT-078 mainly occupies the hydrophobic pocket of ATX, blocks the bottleneck region between the hydrophobic channel and the catalytic site, and does not interact with the zinc ion at the catalytic site .
    PAT-078
  • HY-182057

    HyT Anaplastic lymphoma kinase (ALK) Cancer
    ALK degrader 4 is a ALK HyT degrader with an IC50 of 0.74 nM. ALK degrader 4 inhibits ALK kinase activity, increases the solvent-accessible surface area of hydrophobic residues near the ALK binding pocket, promotes ALK to form a partially unfolded conformation, and induces proteasomal degradation of ALK. ALK degrader 4 inhibits cancer cell proliferation. ALK degrader 4 can be used in research related to non-small cell lung cancer (ALK ligand: Brigatinib (HY-12857); hydrophobic tag: Norbornene (HY-W013021)) .
    ALK degrader 4
  • HY-130303

    MDM-2/p53 Others
    Nutlin-2 is an inhibitor of the interaction between p53 and MDM2, with an IC50 of 0.14 μM. Nutlin-2 disrupts the p53-MDM2 protein-protein interaction by occupying the hydrophobic pocket on MDM2 that normally binds to the hydrophobic residues of p53 .
    Nutlin-2
  • HY-W100829

    Drug Intermediate Others
    FPPS ligand 3 (compound 2) is a farnesyl pyrophosphate synthase (FPPS) ligand. FPPS ligand 3 binds to the hydrophobic base region of the FPPS pocket. FPPS ligand 3 can be used to design and synthesize FPPS inhibitors .
    FPPS ligand 3
  • HY-W170126

    Bacterial Infection
    CB6513745 is a MelF flavin-dependent oxidoreductase inhibitor with a Ki of 18 μM against Mycobacterium marinum MelF. CB6513745 inhibits the activity of MelF flavin-dependent oxidoreductase via hydrophobic interactions with the binding pocket of the protein. CB6513745 is applicable to research related to tuberculosis .
    CB6513745
  • HY-173121

    HBV Infection
    KR019 is a potent HBV capsid assembly modulator, exhibits potent antiviral activity in HBV-replicating cells. KR019 binds to the hydrophobic pocket at the core protein dimer-dimer interface, misdirecting capsid assembly into genome-free capsids and thereby inhibiting viral replication .
    KR019
  • HY-183282

    Deubiquitinase Cancer
    LC-U7-44 is a potent USP7 inhibitor with an IC50 of 0.96 μM. LC-U7-44 binds to the hydrophobic catalytic pocket of USP7, forming hydrogen bonds with Gln297, Arg408, Asp295, Val296, and Gln351, and hydrophobic interactions with Leu406. LC-U7-44 exerts anti-proliferative effects on prostate cancer cells. LC-U7-44 can be used for the research of prostate cancer .
    LC-U7-44
  • HY-182529

    DNA/RNA Synthesis Cancer
    DHPS-IN-3 (Compound 26d) is a NAD-competitive DHPS inhibitor, with an IC50 of 0.0092 μM at 14 μM NAD and an IC50 of 0.069 μM at 250 μM NAD. DHPS-IN-3 is applicable for cancer research .
    DHPS-IN-3
  • HY-182087

    HyT Anaplastic lymphoma kinase (ALK) Cancer
    ALK degrader 3 is a ALK HyT degrader with an IC50 of 1.2 nM. ALK degrader 3 inhibits ALK kinase activity, increases the solvent-accessible surface area of hydrophobic residues near the ALK binding pocket, promotes ALK to form a partially unfolded conformation, and drives ALK degradation via the proteasomal pathway. ALK degrader 3 inhibits the proliferation of tumor cells. ALK degrader 3 can be used for the research of non-small cell lung cancer. (ALK ligand: Brigatinib (HY-12857); hydrophobic tag: Tetraasterane (HY-W1139353)) .
    ALK degrader 3
  • HY-137744

    Adenylate Cyclase Nucleoside Antimetabolite/Analog Infection
    MANT-GppNHp is a competitive adenyl cyclase (AC) inhibitor. MANT-GppNHp is a fluorescently labeled GTP (HY-113225) analogue. MANT-GppNHp interacts with the hydrophobic pocket near the AC catalytic site through its MANT group, thereby directly blocking the binding of the substrate ATP. MANT-GppNHp can be used to study diseases related to the increased activity of AC (such as cholera) .
    MANT-GppNHp
  • HY-183926

    HIV Integrase Infection
    D719 is an HIV-1 integrase inhibitor. D719 binds to the hydrophobic pocket of HIV-1 integrase CCD dimer, disrupts interaction with LEDGF/P75, and prevents integrase nuclear translocation. D719 reduces HIV-1 p24 antigen production in acute infection of human T cells. D719 can be used for the research of HIV infection .
    D719
  • HY-182306

    VEGFR Cardiovascular Disease
    VEGFR-2 ligand-1, Sorafenib (HY-10201) derivative, is a vascular endothelial growth factor receptor 2 (VEGFR2) ligand. VEGFR-2 ligand-1 binds to the ATP-binding pocket of VEGFR2, forms hydrophobic contacts and hydrogen bonds with key binding-site residues. VEGFR-2 ligand-1 can be used for the research angiogenesis-related pathologies .
    VEGFR-2 ligand-2
  • HY-D2939

    Fluorescent Dye Others
    BGSBD is a SNAP-tag-based fluorescent probe (Ex/Em: 435 nm/516 nm) based on the environmentally sensitive fluorescent group SBD, specifically designed for protein labeling of live cells without washing. BGSBD achieves a 280-fold fluorescence enhancement after labeling by ingeniously utilizing the hydrophobic binding pocket of the SNAP-tag protein, providing an ideal tool for real-time monitoring of protein dynamics within cells .
    BGSBD
  • HY-182020

    Bacterial Infection
    LpxH-IN-3 is a Klebsiella pneumoniae LpxH inhibitor with an IC50 of 0.17 μM. LpxH-IN-3 binds to the L-shaped hydrophobic binding pocket of Klebsiella pneumoniae LpxH, forms hydrogen bonds and other interactions with key residues, disrupts lipid A biosynthesis, and induces bacterial death. LpxH-IN-3 exhibits moderate antibacterial activity against Klebsiella pneumoniae and Escherichia coli. LpxH-IN-3 can be used for the research of klebsiella pneumoniae infection .
    LpxH-IN-3
  • HY-181128

    Potassium Channel Neurological Disease
    QO-83, Retigabine analogue, is a voltage-gated potassium channel KCNQ2 (Kv7.2) activator with an EC50 of 0.56 μM. QO-83 binds to a single hydrophobic pocket of KCNQ2-CaM complex in closed conformation. QO-83 induces a negative shift in the voltage-dependent activation curve of KCNQ2 channels, increasing the channel's voltage sensitivity. QO-83 can be used for the research of epilepsies .
    QO-83
  • HY-W173361

    Epigenetic Reader Domain Others
    CBP/p300-IN-24 is a selective CBP bromodomain inhibitor with an IC50 of 32 μM, showing selectivity over BRD4 BD-1 bromodomain. CBP/p300-IN-24 binds to the acetyl lysine binding pocket, forms hydrogen bonds with Asn1168 and a solvent-mediated hydrogen bond with Tyr1125, and forms hydrophobic interactions with Leu1120, Ile1122, and Val1174 .
    CBP/p300-IN-24
  • HY-174332

    Cytochrome P450 Neurological Disease
    Cholesterol 24-hydroxylase-IN-3 is an orally active, selective, and blood-brain barrier-penetrant CH24H inhibitor (IC50 = 23 nM) belonging to 1,3-oxazole derivatives. Cholesterol 24-hydroxylase-IN-3 competitively inhibits CH24H enzyme activity by using the 1,3-oxazole nitrogen atom to coordinate the heme iron and the cyclopropyl group occupying the hydrophobic pocket. Cholesterol 24-hydroxylase-IN-3 can be used for research on epilepsy and other neurological diseases.
    Cholesterol 24-hydroxylase-IN-3
  • HY-181739

    CD1 Cancer
    GCB-27a is a CD1d-binding immunostimulant and antitumor agent. GCB-27a binds to CD1d to form a stable complex and presents it to NKT cells, enhancing hydrophobic interactions within the A' pocket of CD1d through branched-chain conformation restriction. GCB-27a induces a Th1-biased immune response, drives IFN?γ production and limits IL-4 levels. GCB-27a is applicable to research related to melanoma lung metastasis .
    GCB-27a
  • HY-18314B

    Orphan Nuclear Receptor Ferroptosis Cardiovascular Disease
    (Z)-GW 441756 is a hepatocyte nuclear factor 4α (HNF4α) activator, with an EC50 of 9.2 μM and a Ka of 4.6 μM in human systems. (Z)-GW 441756 directly interacts with the ligand-binding domain of HNF4α via persistent hydrogen bonds and hydrophobic interactions within the binding pocket. (Z)-GW 441756 reduces the accumulation of triglycerides and total cholesterol. (Z)-GW 441756 inhibits ferroptosis through a non-antioxidant mechanism. (Z)-GW 441756 decreases plasma triglyceride and total cholesterol levels in animal models of hyperlipidemia. (Z)-GW 441756 can be used in studies related to hyperlipidemia .
    (Z)-GW 441756
  • HY-130305A

    PKC Cancer
    GSK-943949A is a PRK1 inhibitor with an IC50 of 40.0 nM. GSK-943949A is applicable to research related to prostate cancer .
    GSK-943949A

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