CovalentInDB (Covalent Inhibitor Database) is the largest web-accessible resource for covalent inhibitors and related targets. The latest version provides the information for 4511 covalent inhibitors and 280 related protein targets collected by comprehensive literature searching. The inhibitors in CovlnDB possess 57 types of reactive warheads, including Michael acceptor, beta lactam, boronic acid, epoxide, halohydrocarbon, etc.

CovalentInDB provides not only the basic information of covalent inhibitors, targets, and bioactivity, but also the reactive warheads of inhibitors, covalent reaction mechanism, attacked nucleophilic residues and covalent-mechanism experimental verification methods. A molecular visualization function is also embedded to display protein-ligand interaction. Moreover, CovalentInDB also provides the structural transformation process during the covalent reaction for each warhead.

Cite CovalentInDB: Du H, Gao J, Weng G, Ding J, Chai X, Pang J, Kang Y, Li D, Cao D, Hou T. CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors. Nucleic Acids Res. 2020 Oct 17:gkaa876.