cBinderDB: a covalent binding agent database
… covalent binding interactions. Hence, we initiated this covalent binder database (cBinderDB)…
A text mining toolkit was developed to systematically collect, validate and annotate covalent …
A text mining toolkit was developed to systematically collect, validate and annotate covalent …
CovBinderInPDB: A structure-based covalent binder database
XK Guo, Y Zhang - Journal of chemical information and modeling, 2022 - ACS Publications
… (27) Recently, Hou et al. established the CovalentInDB database of 4511 covalent inhibitors
for 280 protein targets, among which covalent binding mechanisms of 842 compounds (…
for 280 protein targets, among which covalent binding mechanisms of 842 compounds (…
CovBinderInPDB: A Structure-Based Covalent Binder Database and Its Applications
X Guo - 2023 - search.proquest.com
… are covalent binders because they form covalent bonds with the side chains of the amino acid
residues in the binding … the decommissioned cBinderDB database of 527 covalent binders …
residues in the binding … the decommissioned cBinderDB database of 527 covalent binders …
CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors
… , cBinderDB is not accessible anymore. In this study, we developed Covalent Inhibitor
Database (… residues and inherent covalent binding sites and (ii) small covalent inhibitors that …
Database (… residues and inherent covalent binding sites and (ii) small covalent inhibitors that …
CovPDB: a high-resolution coverage of the covalent protein–ligand interactome
M Gao, AFA Moumbock, A Qaseem, Q Xu… - Nucleic Acids …, 2022 - academic.oup.com
… Herein, we report CovPDB, the first database solely dedicated to high-resolution … a covalent
bonding mechanism not until long after their market approval (1,2). Conversely, covalent …
bonding mechanism not until long after their market approval (1,2). Conversely, covalent …
Systematic studies on the protocol and criteria for selecting a covalent docking tool
… [22,23], and they did well in simulating the covalent bonds between a protein and a metal
species; our work focuses on common … We will update the BCDE database when possible. …
species; our work focuses on common … We will update the BCDE database when possible. …
Electrophilic warheads in covalent drug discovery: An overview
N Péczka, Z Orgován, P Ábrányi-Balogh… - Expert Opinion on …, 2022 - Taylor & Francis
… Covalent binding can overcome this challenge in some … was cBinderDB [Citation19],
containing data from 527 covalent binders and 190 related protein targets, however, this database …
containing data from 527 covalent binders and 190 related protein targets, however, this database …
Constructing Innovative Covalent and Noncovalent Compound Libraries: Insights from 3D Protein–Ligand Interactions
X Xu, W Han, X Ning, C Zang, C Xu… - Journal of Chemical …, 2024 - ACS Publications
… used DeLinker for fragment replacement in the covalent binding portion of covalent
adducts. … Databases used in this study could be accessed as follows: ChEMBL(https://www.ebi.ac.uk/…
adducts. … Databases used in this study could be accessed as follows: ChEMBL(https://www.ebi.ac.uk/…
CHARMM-GUI PDB Reader and Manipulator: Covalent Ligand Modeling and Simulation
… to combine a non-covalent binding scaffold with an … databases to integrate published
covalent modifiers to better serve the demand of structure-based virtual screening: cBinderDB, 10 …
covalent modifiers to better serve the demand of structure-based virtual screening: cBinderDB, 10 …
A road map for prioritizing warheads for cysteine targeting covalent inhibitors
… of the targeted proteins by forming covalent bonds with nucleophilic amino acid residues [1]. …
Statistics for covalent binders available in the CBinder database, chemical structure of the …
Statistics for covalent binders available in the CBinder database, chemical structure of the …