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  What is CovalentInDB


CovalentInDB (Covalent Inhibitor Database) is the largest web-accessible resource for covalent inhibitors and related targets. The latest version provides the information for 4806 covalent inhibitors and 298 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.

  News:

2021/05/23: Dear users, we updated CovalentInDB recently. The information for 295 covalent inhibitors and 18 targets was added. The data for crystal structures of proteins bound with covalent inhibitors is on the way.        
2021/05/23: Dear users, we updated CovalentInDB recently. The information for 295 covalent inhibitors and 18 targets was added. The data for crystal structures of proteins bound with covalent inhibitors is on the way.        
Cite CovalentInDB: Du, H., Gao, J., Weng, G., Ding, J., Chai, X., Pang, J., Kang, Y., Li, D., Cao, D., & Hou, T. (2021). CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors. Nucleic acids research, 49(D1), D1122–D1129. https://doi.org/10.1093/nar/gkaa876