Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective ligands
收藏NIAID Data Ecosystem2026-05-02 收录
数据链接：
官方服务：
资源简介：
Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective ligands
应用场景：
创建时间：
2024-11-06
相关数据集
Structure of Compound 5 bound to the CHK1 10-point mutant
Structure of Compound 5 bound to the CHK1 10-point mutant Descriptor: (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclo
Protein Data Bank Japan2023-11-15 更新80
Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations
Relative binding free energy (RBFE) prediction methods such as free energy perturbation (FEP) are important today for estimating protein–ligand binding affinities. Significant hardware and algorithmic
Figshare2020-01-28 更新50
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) IN COMPLEX WITH ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) IN COMPLEX WITH ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan
Protein Data Bank Japan2024-03-06 更新30
Tankyrase 2 in complex with 4'-nitro flavone
Tankyrase 2 in complex with 4'-nitro flavone Descriptor: 2-(4-nitrophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... Authors: Narwal, M, Haikarainen, T, Lehtio, L. Deposit date: 2013-06-01 Release
Protein Data Bank Japan2023-09-20 更新60
Structure-Guided Chemical Optimization of Bicyclic Peptide (Bicycle) Inhibitors of Angiotensin-Converting Enzyme 2
Angiotensin-converting enzyme 2 (ACE2) is a metalloprotease that cleaves angiotensin II, a peptide substrate involved in the regulation of hypertension. Here, we identified a series of constrained bic
Figshare2023-07-11 更新30
