CovalentLab: From Non-Covalent to Covalent Molecules Design
About CovalentLab
CovalentLab (Covalent Laboratory) is an integrated platform combining interactivity and design, dedicated to serving the rational design of covalent drugs.
The platform identifies nucleophilic residues in target binding sites, optimizes warhead attachment points, and integrates warheads into ligands. It also supports custom warhead design by matching suitable ligands and targets for specific user-defined warheads.
CovalentLab supports 9 amino acid targets and features a curated library of 220 diverse warheads. The platform's database covers 95 key targets, 302 reversible protein-ligand complexes, and 109903 covalent inhibitors.
CovalentLab enables efficient searching and designing of covalent inhibitors, expands the chemical space, and strongly supports drug discovery across diverse therapeutic areas.
The platform identifies nucleophilic residues in target binding sites, optimizes warhead attachment points, and integrates warheads into ligands. It also supports custom warhead design by matching suitable ligands and targets for specific user-defined warheads.
CovalentLab supports 9 amino acid targets and features a curated library of 220 diverse warheads. The platform's database covers 95 key targets, 302 reversible protein-ligand complexes, and 109903 covalent inhibitors.
CovalentLab enables efficient searching and designing of covalent inhibitors, expands the chemical space, and strongly supports drug discovery across diverse therapeutic areas.
Covalent Molecule Design
Covalent Warhead Application
Platform
CovalentLab (Covalent Laboratory) is an integrated platform combining interactivity and design, dedicated to serving the rational design of covalent drugs.
The platform identifies nucleophilic residues in target binding sites, optimizes warhead attachment points, and integrates warheads into ligands. It also supports custom warhead design by matching suitable ligands and targets for specific user-defined warheads.
CovalentLab enables efficient searching and designing of covalent inhibitors, expands the chemical space, and strongly supports drug discovery across diverse therapeutic areas.
The platform identifies nucleophilic residues in target binding sites, optimizes warhead attachment points, and integrates warheads into ligands. It also supports custom warhead design by matching suitable ligands and targets for specific user-defined warheads.
CovalentLab enables efficient searching and designing of covalent inhibitors, expands the chemical space, and strongly supports drug discovery across diverse therapeutic areas.
Statics
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Statistical and Mechanistic Overview of FDA-Approved Covalent Drugs: Targets, Reactive Residues, and Bonding Mechanisms
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Contact
If you have any questions, please contact:
Prof. Xiaojian Wang
Email: wangxiaojian@imm.ac.cn
Institute of Materia Medica Chinese Academy of Medical Sciences1st Xian Nong Tan St. Beijing, 100050
Xi Xue
Email: xuexi@imm.ac.cn
Prof. Xiaojian Wang
Email: wangxiaojian@imm.ac.cn
Institute of Materia Medica Chinese Academy of Medical Sciences1st Xian Nong Tan St. Beijing, 100050
Xi Xue
Email: xuexi@imm.ac.cn