. Author manuscript; available in PMC: 2023 Dec 12.

Published in final edited form as: J Chem Inf Model. 2022 Dec 1;62(23):6057–6068. doi: 10.1021/acs.jcim.2c01216

Table 5.

Covalent Binder Classification by Residue Target (DrugBank)^a

target residue	covalent binder	warhead	adduct	unique protein chain	PDB	covalent record
cysteine	96	30	97	85	178	353
serine	90	22	104	124	245	371
lysine	17	4	24	36	46	135
threonine	6	4	6	8	8	45
glutamic acid	5	3	7	7	8	13
histidine	2	2	3	4	4	8
aspartic acid	1	1	2	2	3	13
multiResType	17	11	35	138	232	708
multiResTrgt	10	8	18	22	28	71
sum	244	85	296	426	752	1717

Note: All binders in this table could be found in DrugBank