Index Ligand Name Ligand ID Canonical SMILES #Protein-Ligand Complex(es) 1 2-[(1R,3R,7E,17beta)-1,3-Dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-oct-6-en-4-yn-3-one COVPDB448 C/C=C/C#CC(=O)[C@@H](C)[C@H]1CC[C@H]([C@@]12C)/C(CCC2)=C/C=C3\C[C@@H](O)C(=C)[C@H](O)C3 1 2 Branebrutinib COVPDB1078 CC#CC(=O)N[C@H]1CCCN(C1)c2c(F)cc(C(=O)N)c(c23)[nH]c(C)c3C 1 3 Tirabrutinib COVPDB360 CC#CC(=O)N1CC[C@H](C1)n2c(=O)n(c(c23)c(N)ncn3)-c4ccc(cc4)Oc5ccccc5 1