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hydrophobic pocket

" in MedChemExpress (MCE) Product Catalog:

23

Inhibitors & Agonists

1

Natural
Products

Cat. No. Product Name Target Research Areas Chemical Structure
  • HY-123045
    PNU-292137

    		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-157480
    EGFR/AURKB-IN-1

    		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-131976
    BVDV-IN-1

    		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-N2204
    Swertiajaponin

    		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-164645
    pan-KRAS-IN-16

    		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
    KR-40795

    		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
    YL-1-9

    		MDM-2/p53 CDK 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
    Antifungal agent 40

    		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-173121
    KR019

    		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-146814
    EBOV/MARV-IN-3

    		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-162512
    CB-0821

    		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-126230
    PAT-494

    		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-109168
    Bersacapavir
    2 Publications Verification

    JNJ-6379; JNJ-56136379

    		 HBV Infection
    Bersacapavir (JNJ-6379) is a novel Hepatitis B Virus capsid assembly modulator. Bersacapavir interferes with the assembly process of the hepatitis B virus nucleocapsid by binding to the hydrophobic pocket at the dimer-dimer interface of hepatitis B core protein (HBc) subunits. Bersacapavir inhibits the replication of HBV. Bersacapavir is mainly used in the research of chronic hepatitis B .
    Bersacapavir
  • HY-164523
    PV1162

    		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-156405
    FTO-IN-10

    		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
    HR-568

    		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
    PSB-22269

    		Orphan 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-W014223
    2,4′-Dihydroxybenzophenone

    Ultraviolet absorber UV-0

    		 Toll-like Receptor (TLR) Reactive Oxygen Species (ROS) MyD88 IRAK NF-κB 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-120646
    BMS-242

    		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-W014223R
    2,4′-Dihydroxybenzophenone (Standard)

    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-174332
    Cholesterol 24-hydroxylase-IN-3

    		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[1].
    Cholesterol 24-hydroxylase-IN-3
  • HY-122204
    5M038

    		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-121900
    LT175

    		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

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