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Results for "

ligand binding domain (LBD)

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Androgen Receptor (1) Aryl Hydrocarbon Receptor (1) Cytochrome P450 (1) Endogenous Metabolite (1) Estrogen Receptor/ERR (5) Histone Methyltransferase (6) iGluR (1) Isotope-Labeled Compounds (2) Nuclear Hormone Receptor 4A/NR4A (6) Parasite (6) PPAR (4) ROR (1)
By Research Areas:	Cancer (6) Cardiovascular Disease (1) Endocrinology (1) Infection (6) Inflammation/Immunology (7) Metabolic Disease (7) Neurological Disease (7)

Inhibitors & Agonists

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Isotope-Labeled Compounds

Targets Recommended: Discoidin Domain Receptor Epigenetic Reader Domain Penicillin-binding protein (PBP) Target Protein Ligand-Linker Conjugates E3 Ligase Ligand-Linker Conjugates FKBP FABP Transthyretin (TTR) Ligands for Target Protein for PROTAC YB-1 WDR5 PD-1/PD-L1 GHR PIKfyve BCL6 P-glycoprotein

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-B1322A

Amodiaquine Maximum Cited Publications 9 Publications Verification Amodiaquin	Nuclear Hormone Receptor 4A/NR4A Parasite Histone Methyltransferase	Infection Neurological Disease Inflammation/Immunology
Amodiaquine (Amodiaquin), a 4-aminoquinoline class of antimalarial agent, is a potent and orally active histamine N-methyltransferase inhibitor. Amodiaquine is also a Nurr1 agonist and specifically binds to **Nurr1-LBD (ligand binding domain) with an EC₅₀** of ~20 μM. Anti-inflammatory effect .

HY-B1322

Amodiaquine dihydrochloride dihydrate Maximum Cited Publications 9 Publications Verification Amodiaquin dihydrochloride dihydrate	Nuclear Hormone Receptor 4A/NR4A Parasite Histone Methyltransferase	Infection Neurological Disease Inflammation/Immunology
Amodiaquine dihydrochloride dihydrate (Amodiaquin dihydrochloride dihydrate), a 4-aminoquinoline class of antimalarial agent, is a potent and orally active histamine N-methyltransferase inhibitor. Amodiaquine dihydrochloride dihydrate is also a Nurr1 agonist and specifically binds to **Nurr1-LBD (ligand binding domain) with an EC₅₀** of ~20 μM. Anti-inflammatory effect .

HY-B1322B

Amodiaquine dihydrochloride Maximum Cited Publications 9 Publications Verification Amodiaquin dihydrochloride	Nuclear Hormone Receptor 4A/NR4A Parasite Histone Methyltransferase	Infection Neurological Disease Inflammation/Immunology
Amodiaquine dihydrochloride (Amodiaquin dihydrochloride), a 4-aminoquinoline class of antimalarial agent, is a potent and orally active histamine N-methyltransferase inhibitor with a K_i of 18.6 nM. Amodiaquine dihydrochloride is also a Nurr1 agonist and specifically binds to **Nurr1-LBD (ligand binding domain) with an EC₅₀** of ~20 μM. Anti-inflammatory effect .

HY-117727

Leriglitazone MIN-102; Hydroxypioglitazone	PPAR	Metabolic Disease
Leriglitazone (MIN-102; Hydroxypioglitazone), a metabolite of pioglitazone. Leriglitazone PioOH is a PPARγ agonist, stabilizes the PPARγ activation function-2 (AF-2) co-activator binding surface and enhances co-activator binding, affording slightly better transcriptional efficacy. Leriglitazone binds to the PPARγ C-terminal ligand-binding domain (LBD) with a K_i of 1.2 μM，Leriglitazone induces transcriptional efficacy of the PPARγ (LBD) with an EC₅₀ of 680 nM .

HY-117727A

Leriglitazone hydrochloride MIN-102 hydrochloride; Hydroxypioglitazone hydrochloride	PPAR	Metabolic Disease
Leriglitazone (MIN-102; Hydroxypioglitazone) hydrochloride, a metabolite of pioglitazone. Leriglitazone hydrochloride PioOH is a PPARγ agonist, stabilizes the PPARγ activation function-2 (AF-2) co-activator binding surface and enhances co-activator binding, affording slightly better transcriptional efficacy. Leriglitazone hydrochloride binds to the PPARγ C-terminal ligand-binding domain (LBD) with a K_i of 1.2 μM，Leriglitazone induces transcriptional efficacy of the PPARγ (LBD) with an EC₅₀ of 680 nM .

HY-120210

XY018	ROR	Inflammation/Immunology Cancer
XY018 is a potent ROR-γ-selective antagonist. XY018 inhibits ROR-γ constitutive activity in 293T cells with high potency (EC₅₀, 190 nM). XY018 binds to the ROR-γ hydrophobic ligand binding domain (LBD) .

HY-B1322AS

Amodiaquine-d10	Parasite Histone Methyltransferase	Infection Neurological Disease Inflammation/Immunology
Amodiaquine-d₁₀ is the deuterium labeled Amodiaquine. Amodiaquine (Amodiaquin), a 4-aminoquinoline class of antimalarial agent, is a potent and orally active histamine N-methyltransferase inhibitor. Amodiaquine is also a Nurr1 agonist and specifically binds to Nurr1-LBD (ligand binding domain) with an EC50 of ~20 μM. Anti-inflammatory effect[1][2][3][4].

HY-111254

GQ-16	PPAR	Metabolic Disease
GQ-16 is a moderate affinity ligand for the ligand-binding domain (LBD) of PPARγ, exhibiting a K_i of 160 nM. GQ-16 is an effective inhibitor of Cdk5-mediated phosphorylation of PPARγ. GQ-16 is a partial agonist of PPARγ with reduced adipogenic actions. GQ-16 promotes insulin Sensitization without weight gain .

HY-B1322AS1

Amodiaquine-d10 hydrochloride Amodiaquin-d₁₀	Nuclear Hormone Receptor 4A/NR4A Parasite Histone Methyltransferase Isotope-Labeled Compounds	Infection Neurological Disease Inflammation/Immunology
Amodiaquine-d₁₀ hydrochloride is deuterated labeled Amodiaquine (HY-B1322A). Amodiaquine (Amodiaquin), a 4-aminoquinoline class of antimalarial agent, is a potent and orally active histamine N-methyltransferase inhibitor. Amodiaquine is also a Nurr1 agonist and specifically binds to **Nurr1-LBD (ligand binding domain) with an EC₅₀** of ~20 μM. Anti-inflammatory effect .

HY-B1322R

Amodiaquine dihydrochloride dihydrate (Standard)	Nuclear Hormone Receptor 4A/NR4A Parasite Histone Methyltransferase	Infection Neurological Disease Inflammation/Immunology
Amodiaquine (dihydrochloride dihydrate) (Standard) is the analytical standard of Amodiaquine (dihydrochloride dihydrate). This product is intended for research and analytical applications. Amodiaquine dihydrochloride dihydrate (Amodiaquin dihydrochloride dihydrate), a 4-aminoquinoline class of antimalarial agent, is a potent and orally active histamine N-methyltransferase inhibitor. Amodiaquine dihydrochloride dihydrate is also a Nurr1 agonist and specifically binds to **Nurr1-LBD (ligand binding domain) with an EC₅₀** of ~20 μM. Anti-inflammatory effect .

HY-162738

JMV6944	Cytochrome P450	Cancer
JMV6944 is a PXR agonist. JMV6944 competitively inhibits hPXR ligand-binding domain (LBD) binding to PXR with an IC₅₀ of 680nM. JMV6944 induces CYP3A4 mRNA expression in freshly isolated human primary human hepatocyte cultures. JMV6944 can be used for the synthesis of PROTAC PXR degrader JMV7048 (HY-162704) .

HY-117727S

Leriglitazone-d4 MIN-102-d₄; Hydroxypioglitazone-d₄	Isotope-Labeled Compounds PPAR	Metabolic Disease
Leriglitazone-d₄ (MIN-102-d₄; Hydroxypioglitazone-d₄) is deuterium labeled Leriglitazone. Leriglitazone (Hydroxypioglitazone), a metabolite of pioglitazone.Leriglitazone (Hydroxypioglitazone) PioOH is a PPARγ agonist, stabilizes the PPARγ activation function-2 (AF-2) co-activator binding surface and enhances co-activator binding, affording slightly better transcriptional efficacy.Leriglitazone (Hydroxypioglitazone) binds to the PPARγ C-terminal ligand-binding domain (LBD) with Ki of 1.2 μM，induces transcriptional efficacy of the PPARγ (LBD) with EC50 of 680 nM .

HY-132205

DS45500853	Estrogen Receptor/ERR	Metabolic Disease
DS45500853 is an estrogen-related receptor α (ERRα) agonist. DS45500853 inhibits the binding between receptor-interacting protein 140 (RIP140) corepressor peptide (10 nM) and GST-ERRα ligand-binding domain (LBD; 1.2 μM) with an IC₅₀ value of 0.80 μM. DS45500853 can be used for the research of metabolic disorders, including type 2 diabetes mellitus (T2DM) .

HY-143201

DS20362725	Estrogen Receptor/ERR	Metabolic Disease
DS20362725 is an estrogen-related receptor α (ERRα) agonist. DS20362725 inhibits the binding between receptor-interacting protein 140 (RIP140) corepressor peptide (10 nM) and GST-ERRα ligand-binding domain (LBD; 1.2 μM) with an IC₅₀ value of 0.6 μM. DS20362725 can be used for the research of metabolic disorders, including type 2 diabetes mellitus (T2DM) .

HY-136242

UT-34	Androgen Receptor	Endocrinology Cancer
UT-34 is a potent, selective and orally active second-generation pan-androgen receptor (AR) antagonist and degrader with IC₅₀s of 211.7 nM, 262.4 nM and 215.7 nM for wild-type, F876L and W741L AR, respectively. UT-34 binds to ligand-binding domain (LBD) and function-1 (AF-1) domains and requires ubiquitin proteasome pathway to degrade the AR. UT-34 has anti-prostate cancer efficacy .

HY-137818

SR19881	Estrogen Receptor/ERR	Cardiovascular Disease
SR19881 is a potent dual agonist of ERRγ and ERRβ, with EC₅₀ values of 0.39 and 0.63 μM, respectively .

HY-141551

GNE-274	Estrogen Receptor/ERR	Cancer
GNE-274 is a non-degrader that is structurally related to GDC-0927 (ER degrader). GNE-274 does not induce ER turnover and functions as a partial ER agonist in breast cancer cell lines. GNE-274 increase chromatin accessibility at ER-DNA binding sites, while GDC-0927 do not. GNE-274 is a potent inhibitor of ER-ligand binding domain (LBD). GNE-274 can be used for cancer research .

HY-W677684

Nurr1 agonist 2	Nuclear Hormone Receptor 4A/NR4A	Others
Nurr1 agonist 2 (Compound 7) is a Nurr1 agonist (EC₅₀: 0.07 μM). Nurr1 agonist 2 binds to the recombinant Nurr1 ligand binding domain (LBD) with a K_d value of 0.14 μM. Nurr1 agonist 2 increases the Nurr1-regulated genes tyrosine hydroxylase (TH) and vesicular amino acid transporter 2 (VMAT2) mRNA expression .

HY-121372

Lactandrate	Estrogen Receptor/ERR	Cancer
Lactandrate is a D-high nitrogen steroid alkylating agent. It can interact with the ligand-binding domain (LBD) of estrogen receptor-alpha (ERα). Lactandrate has a growth inhibitory effect on breast cancer cells, with a GI₅₀ value ranging from 5 to 65 μM. It shows anti-tumor activity in mouse breast tumors (MXT and CD8F1) as well as in human xenograft MX-1 .

HY-122742

HBT1	iGluR	Neurological Disease
HBT1 is a potent α-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) receptor (AMPA-R) potentiator. HBT1 bonds with S518 in the ligand-binding domain (LBD) of AMPA-R in a glutamate-dependent manner. HBT1 did not show remarkable bell-shaped response in brain-derived neurotrophic factor (BDNF) production in primary neurons .

HY-118097

GW0072	Others	Cancer
Targeted molecular dynamics simulations of the entry of GW0072, a macromolecular ligand with flexible ionic properties, into the ligand-binding domain of the nuclear receptor PPARc were performed. Starting from the apo-form, where the ligand is located outside the receptor, the simulation ultimately locks the ligand into the binding pocket, yielding a structure very close to the holo-form. The results show that the entry process is mainly guided by hydrophobic interactions, and that the entry and exit pathways are very similar. We suggest that the TMD approach may be useful in distinguishing ligands generated by in silico docking. To address the question of the ligand entry process, we report targeted molecular dynamics (TMD) simulations of the binding of the GW0072 ligand to the ligand-binding domain (LBD) of the peroxisome proliferator-activated receptor gamma (PPARc). PPARc is a member of the nuclear receptor superfamily and an important agent target for many diseases. We chose to study this complex because (i) GW0072 is a large ionic, highly flexible ligand that includes aliphatic chains and polar groups, and (ii) previous simulations have defined a possible escape pathway for this ligand. Starting from the apo-form of the receptor (PDB.ID 1PRG, chain A), with the ligand located outside, TMD simulations converged on a holo-form complex that is close to the target structure (PDB.ID 4PRG, chain A), defining a permeation pathway into the binding pocket that is very similar to the escape pathway. However, during the entry of GW0072 into the receptor (Fig. 5), the helices are very mobile, and once the ligand is placed in the pocket, AF-2 becomes more rigid during the remainder of the simulation (Fig. S1 in the Supplementary Materials). This finding is in good agreement with the observations of Oberfield et al. [12], suggesting that despite the absence of direct interaction with the ligand, the presence of the ligand in the binding site stabilizes an intermediate conformation of AF-2, which may be responsible for the property of GW0072 as a partial agonist.

HY-W017113

2-Mercaptobenzothiazole	Endogenous Metabolite Aryl Hydrocarbon Receptor	Metabolic Disease
2-Mercaptobenzothiazole is an activator of the aryl hydrocarbon receptor (AhR) , inhibiting thyroid hormone synthesis and dopamine beta-hydroxylase activity . 2-Mercaptobenzothiazole promotes bladder cancer cell invasion by altering the conformation of the AhR ligand binding domain (LBD), activating AhR transcription, and upregulating the mRNA and protein expression of target genes CYP1A1 and CYP1B1 . 2-Mercaptobenzothiazole inhibits thyroid peroxidase (TPO) with an IC₅₀ value of 11.5 μM, induces histological changes such as follicular cell hypertrophy in Xenopus laevis tadpoles, delaying metamorphosis . 2-Mercaptobenzothiazole increases chromosomal aberrations and sister chromatid exchanges (SCEs) in Chinese hamster ovary (CHO) cells, and enhances carcinogenicity in F344/N rats . 2-Mercaptobenzothiazole inhibits norepinephrine synthesis in mice and completely blocks the conversion of exogenous dopamine to norepinephrine in rat cardiomyocytes .

Cat. No.	Product Name	Category	Target	Chemical Structure

HY-W017113

2-Mercaptobenzothiazole	Structural Classification Natural Products Classification of Application Fields Source classification Metabolic Disease Endogenous metabolite Disease Research Fields	Endogenous Metabolite Aryl Hydrocarbon Receptor
2-Mercaptobenzothiazole is an activator of the aryl hydrocarbon receptor (AhR) , inhibiting thyroid hormone synthesis and dopamine beta-hydroxylase activity . 2-Mercaptobenzothiazole promotes bladder cancer cell invasion by altering the conformation of the AhR ligand binding domain (LBD), activating AhR transcription, and upregulating the mRNA and protein expression of target genes CYP1A1 and CYP1B1 . 2-Mercaptobenzothiazole inhibits thyroid peroxidase (TPO) with an IC₅₀ value of 11.5 μM, induces histological changes such as follicular cell hypertrophy in Xenopus laevis tadpoles, delaying metamorphosis . 2-Mercaptobenzothiazole increases chromosomal aberrations and sister chromatid exchanges (SCEs) in Chinese hamster ovary (CHO) cells, and enhances carcinogenicity in F344/N rats . 2-Mercaptobenzothiazole inhibits norepinephrine synthesis in mice and completely blocks the conversion of exogenous dopamine to norepinephrine in rat cardiomyocytes .

Cat. No.	Product Name	Chemical Structure

HY-B1322AS

Amodiaquine-d10
Amodiaquine-d₁₀ is the deuterium labeled Amodiaquine. Amodiaquine (Amodiaquin), a 4-aminoquinoline class of antimalarial agent, is a potent and orally active histamine N-methyltransferase inhibitor. Amodiaquine is also a Nurr1 agonist and specifically binds to Nurr1-LBD (ligand binding domain) with an EC50 of ~20 μM. Anti-inflammatory effect[1][2][3][4].

HY-B1322AS1

Amodiaquine-d10 hydrochloride
Amodiaquine-d₁₀ hydrochloride is deuterated labeled Amodiaquine (HY-B1322A). Amodiaquine (Amodiaquin), a 4-aminoquinoline class of antimalarial agent, is a potent and orally active histamine N-methyltransferase inhibitor. Amodiaquine is also a Nurr1 agonist and specifically binds to **Nurr1-LBD (ligand binding domain) with an EC₅₀** of ~20 μM. Anti-inflammatory effect .

Amodiaquine-d10 hydrochloride

Amodiaquine-d₁₀ hydrochloride is deuterated labeled Amodiaquine (HY-B1322A). Amodiaquine (Amodiaquin), a 4-aminoquinoline class of antimalarial agent, is a potent and orally active histamine N-methyltransferase inhibitor. Amodiaquine is also a Nurr1 agonist and specifically binds to Nurr1-LBD (ligand binding domain) with an EC₅₀ of ~20 μM. Anti-inflammatory effect .

HY-117727S

Leriglitazone-d4
Leriglitazone-d₄ (MIN-102-d₄; Hydroxypioglitazone-d₄) is deuterium labeled Leriglitazone. Leriglitazone (Hydroxypioglitazone), a metabolite of pioglitazone.Leriglitazone (Hydroxypioglitazone) PioOH is a PPARγ agonist, stabilizes the PPARγ activation function-2 (AF-2) co-activator binding surface and enhances co-activator binding, affording slightly better transcriptional efficacy.Leriglitazone (Hydroxypioglitazone) binds to the PPARγ C-terminal ligand-binding domain (LBD) with Ki of 1.2 μM，induces transcriptional efficacy of the PPARγ (LBD) with EC50 of 680 nM .

Leriglitazone-d4

Leriglitazone-d₄ (MIN-102-d₄; Hydroxypioglitazone-d₄) is deuterium labeled Leriglitazone. Leriglitazone (Hydroxypioglitazone), a metabolite of pioglitazone.Leriglitazone (Hydroxypioglitazone) PioOH is a PPARγ agonist, stabilizes the PPARγ activation function-2 (AF-2) co-activator binding surface and enhances co-activator binding, affording slightly better transcriptional efficacy.Leriglitazone (Hydroxypioglitazone) binds to the PPARγ C-terminal ligand-binding domain (LBD) with Ki of 1.2 μM，induces transcriptional efficacy of the PPARγ (LBD) with EC50 of 680 nM .

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