Index Ligand Name Ligand ID Canonical SMILES #Protein-Ligand Complex(es) 1 (3R)-3-[2-(acetylsulfanyl)acetamido]-5-(2,6-dichlorobenzoyloxy)-4-oxopentanoic acid COVPDB61 CC(=O)SCC(=O)N[C@H](CC(O)=O)C(=O)COC(=O)c1c(Cl)cccc1Cl 2 2 (3S)-3-[(2S)-2-[(4-methoxy-1H-indol-2-yl)formamido]-4-methylpentanamido]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate COVPDB1433 COc1cccc(c12)[nH]c(c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)COC(=O)c4ccccc4C#N 3 3 (3S)-3-{[(5S,10aS)-2-[(2S)-4-carboxy-2-(2-phenylacetamido)butyl]-1,3-dioxo-1H,2H,3H,5H,7H,8H,9H,10H,10aH-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]formamido}-5-(2,6-dichlorobenzoyloxy)-4-oxopentanoic acid COVPDB538 OC(=O)CC[C@@H](Cn1c(=O)n2[C@H]3CCCCC3=C[C@@H](C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c3c(Cl)cccc3Cl)n2c1=O)NC(=O)Cc1ccccc1 1 4 (3S)-3-{[(5S)-2-{2-[(1H-1,3-benzodiazol-5-yl)formamido]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-1H,2H,3H,5H,8H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]formamido}-5-(2,6-dichlorobenzoyloxy)-4-oxopentanoic acid COVPDB539 OC(=O)C[C@H](NC(=O)[C@@H]1C=C(CC2CCCCC2)Cn2n1c(=O)n(CCNC(=O)c1ccc3[nH]cnc3c1)c2=O)C(=O)COC(=O)c1c(Cl)cccc1Cl 1 5 (3S)-3-{[(5S,8R)-2-(3-carboxypropyl)-8-{2-[2-(4-chlorophenyl)acetamido]ethyl}-1,3-dioxo-1H,2H,3H,5H,8H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]formamido}-5-(2,6-dichlorobenzoyloxy)-4-oxopentanoic acid COVPDB540 OC(=O)CCCn1c(=O)n2[C@H](CCNC(=O)Cc3ccc(Cl)cc3)C=C[C@@H](C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c3c(Cl)cccc3Cl)n2c1=O 1 6 (3S)-5-(2,6-dichlorobenzoyloxy)-3-{3-[({2-[(5-methanesulfonylthiophen-2-yl)formamido]ethyl}disulfanyl)methyl]benzenesulfonamido}-4-oxopentanoic acid COVPDB62 CS(=O)(=O)c1ccc(s1)C(=O)NCCSSCc1cccc(c1)S(=O)(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(Cl)cccc1Cl 1 7 5-{[(4-{[(2S)-1-carboxy-4-(2,6-dichlorobenzoyloxy)-3-oxobutan-2-yl]carbamoyl}phenyl)methyl]sulfamoyl}-2-hydroxybenzoic acid COVPDB63 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C([O-])=O)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl 1 8 Ac-GSL-AOMK COVPDB289 CC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)COC(=O)c1c(C)cccc1C 1 9 Ac-VLTK-AOMK COVPDB643 CC(C)C[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)COC(=O)c1c(C)cccc1C 2 10 FOR-LEU-ARG-SER-4AR COVPDB220 CC(C)C[C@H](NC=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)COC(=O)c1c(C)cccc1C 1