TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T50429	Peptidyl arginine deiminase type IV	D03HJK	Zithromax	Approved	447043	C38H72N2O12	749	CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O	IC50 > 10000000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	D07QCE	Azathioprine	Approved	2265	C9H7N7O2S	277.27	CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]	IC50 = 8100000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	D08ROP	Leflunomide	Approved	3899	C12H9F3N2O2	270.21	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	IC50 = 2400000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	D0AO5H	Trimethoprim	Approved	5578	C14H18N4O3	290.32	COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N	IC50 = 7500000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	D0D4CY	Sulfapyridine	Approved	5336	C11H11N3O2S	249.29	C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N	IC50 > 10000000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	D0R9OH	Sulfamethoxazole	Approved	5329	C10H11N3O3S	253.28	CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N	IC50 > 10000000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	D0S0LZ	Doxycycline	Approved	54671203	C22H24N2O8	444.4	C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O	Ki = 630000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	D0SV8E	Methotrexate	Approved	126941	C20H22N8O5	454.4	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	IC50 > 10000000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	B14HCO	N'-Benzyl-2-fluoroethanimidamide;hydrochloride	Investigative	54758327	C9H12ClFN2	202.65	C1=CC=C(C=C1)CN=C(CF)N.Cl	IC50 > 1000000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	B1A2MC	N-[(2S)-4-[4-(Cyanomethyl)imidazol-1-yl]-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide	Investigative	126616118	C17H21N5O3	343.4	CC(C)NC(=O)[C@H](CCN1C=C(N=C1)CC#N)NC(=O)C2=CC=CO2	Ki = 591000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	B2BM3Y	Mesalamine	Investigative	4075	C7H7NO3	153.14	C1=CC(=C(C=C1N)C(=O)O)O	IC50 > 10000000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	B30TEW	N-[(2S)-1-Amino-3-[4-[(1-amino-2-fluoroethylidene)amino]phenyl]-1-oxopropan-2-yl]benzamide;2,2,2-trifluoroacetic acid	Investigative	54758422	C20H20F4N4O4	456.4	C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)N=C(CF)N)C(=O)N.C(=O)(C(F)(F)F)O	IC50 = 310000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	B3HZK4	(2S)-5-[(1-Amino-2-fluoroethylidene)amino]-2-(benzenesulfonamido)pentanamide;2,2,2-trifluoroacetic acid	Investigative	54756930	C15H20F4N4O5S	444.4	C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCN=C(CF)N)C(=O)N.C(=O)(C(F)(F)F)O	IC50 = 500000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	B47IMG	2-Fluoro-N'-propylethanimidamide;hydrochloride	Investigative	54758325	C5H12ClFN2	154.61	CCCN=C(CF)N.Cl	IC50 > 1000000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	B4AHX9	N-[(2S)-4-(4-Methylpiperazin-1-yl)-1-oxo-1-(propan-2-ylamino)butan-2-yl]morpholine-4-carboxamide	Investigative	126601948	C17H33N5O3	355.5	CC(C)NC(=O)[C@H](CCN1CCN(CC1)C)NC(=O)N2CCOCC2	Ki > 10000000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	B4EVF0	2-Fluoroethanimidamide hydrochloride	Investigative	42614316	C2H6ClFN2	112.53	C(C(=N)N)F.Cl	IC50 > 10000000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	B58KFV	N-[(1S)-2-Amino-1-[3-[(1-amino-2-fluoroethylidene)amino]phenyl]-2-oxoethyl]benzamide;2,2,2-trifluoroacetic acid	Investigative	54758420	C19H18F4N4O4	442.4	C1=CC=C(C=C1)C(=O)N[C@@H](C2=CC(=CC=C2)N=C(CF)N)C(=O)N.C(=O)(C(F)(F)F)O	IC50 = 2100000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	B7FAM5	N'-[4-(Benzenesulfonamido)butyl]-2-fluoroethanimidamide;2,2,2-trifluoroacetic acid	Investigative	54758428	C14H19F4N3O4S	401.38	C1=CC=C(C=C1)S(=O)(=O)NCCCCN=C(CF)N.C(=O)(C(F)(F)F)O	IC50 > 1000000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	B8Z6UY	N-[(2S)-4-(4-Methylpiperazin-1-yl)-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide	Investigative	126601763	C17H28N4O3	336.4	CC(C)NC(=O)[C@H](CCN1CCN(CC1)C)NC(=O)C2=CC=CO2	Ki = 488000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	B98TCY	N-[(2S)-1-(Benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide	Investigative	126601811	C19H20N4O3	352.4	C1=CC=C(C=C1)CNC(=O)[C@H](CCN2C=CN=C2)NC(=O)C3=CC=CO3	Ki > 10000000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	B9Q0TG	3-[2-(1H-Imidazole-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione	Investigative	47164586	C10H14N4O2	222.24	CC1(C(=O)N(C(=O)N1)CCN2C=CN=C2)C	Ki = 632000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	BAU34P	2-Fluoro-N'-phenylethanimidamide;hydrochloride	Investigative	54758329	C8H10ClFN2	188.63	C1=CC=C(C=C1)N=C(CF)N.Cl	IC50 > 500000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	BEY67K	N-[(2S)-1-Amino-3-[4-[[(1-amino-2-fluoroethylidene)amino]methyl]phenyl]-1-oxopropan-2-yl]benzamide;2,2,2-trifluoroacetic acid	Investigative	54758424	C21H22F4N4O4	470.4	C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)CN=C(CF)N)C(=O)N.C(=O)(C(F)(F)F)O	IC50 > 1000000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	BH5K4G	5,5-Dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione	Investigative	47013852	C11H19N3O2	225.29	CC1(C(=O)N(C(=O)N1)CCN2CCCC2)C	Ki = 4643000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	BK58NC	5,5-Dimethyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione	Investigative	35429407	C11H19N3O3	241.29	CC1(C(=O)N(C(=O)N1)CCN2CCOCC2)C	Ki = 1430000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	BM2U9J	N-[(2S)-1-Amino-3-[3-[(1-amino-2-fluoroethylidene)amino]phenyl]-1-oxopropan-2-yl]benzamide;2,2,2-trifluoroacetic acid	Investigative	54758418	C20H20F4N4O4	456.4	C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC(=CC=C2)N=C(CF)N)C(=O)N.C(=O)(C(F)(F)F)O	IC50 = 310000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	BQ69GC	Clindamycin	Investigative	446598	C18H33ClN2O5S	425	CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl	IC50 = 5100000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	BS9LD1	Streptomycin	Investigative	19649	C21H39N7O12	581.6	C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O	Ki = 560000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	BT19EC	N-[4-[(1-Amino-2-fluoroethylidene)amino]butyl]benzamide;2,2,2-trifluoroacetic acid	Investigative	54758426	C15H19F4N3O3	365.32	C1=CC=C(C=C1)C(=O)NCCCCN=C(CF)N.C(=O)(C(F)(F)F)O	IC50 > 1000000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	BVH8G4	N-[(2S)-1-Amino-5-[(1-amino-2-fluoroethylidene)amino]-1-oxopentan-2-yl]-1H-imidazole-5-carboxamide;2,2,2-trifluoroacetic acid	Investigative	54756932	C13H18F4N6O4	398.31	C1=C(NC=N1)C(=O)N[C@@H](CCCN=C(CF)N)C(=O)N.C(=O)(C(F)(F)F)O	IC50 = 230000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	BX9D2J	N-[(2S)-1-(Benzylamino)-1-oxo-4-(triazol-1-yl)butan-2-yl]furan-2-carboxamide	Investigative	126601779	C18H19N5O3	353.4	C1=CC=C(C=C1)CNC(=O)[C@H](CCN2C=CN=N2)NC(=O)C3=CC=CO3	Ki = 2823000 nM	Non binder
T50429	Peptidyl arginine deiminase type IV	BYQI41	N-[(2S)-4-(4-Methylpiperazin-1-yl)-1-oxo-1-(propan-2-ylamino)butan-2-yl]cyclohexanecarboxamide	Investigative	126601789	C19H36N4O2	352.5	CC(C)NC(=O)[C@H](CCN1CCN(CC1)C)NC(=O)C2CCCCC2	Ki > 10000000 nM	Non binder