3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // Transglut_N ]

 PyMOL session

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // Transglut_C_1 ]

 PyMOL session

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // Transglut_C ]

 PyMOL session

[ Domain: "Cysteine proteinases" // Transglut_core ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 CSV

Only the first 20 rows are shown.

molecule_chembl_id	structure	assay_type	relation	value	unit	mol_wt	smiles	organism	assay_chembl_id	bao_label
CHEMBL3423195		IC50	=	4.0	nM	298.3	NC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Oc2ccccc2)c1	Homo sapiens	CHEMBL3424606	single protein format
CHEMBL3423198		IC50	=	4.0	nM	319.54	NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1	Homo sapiens	CHEMBL3424606	single protein format
CHEMBL5281897		IC50	=	26.0	nM	299.41	O=C(CCCCCCCc1cc1=O)NCCc1ccccc1	Homo sapiens	CHEMBL5234829	cell-free format
CHEMBL2086505		IC50	=	39.0	nM	497.5	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(C(F)(F)F)c1	Homo sapiens	CHEMBL2091160	single protein format
CHEMBL3423194		IC50	=	48.0	nM	240.65	NC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Cl)c1	Homo sapiens	CHEMBL3424606	single protein format
CHEMBL2086890		IC50	=	51.0	nM	413.47	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1	Homo sapiens	CHEMBL2091160	single protein format
CHEMBL3423193		IC50	=	55.0	nM	298.3	NC(=O)[C@H]1O[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1	Homo sapiens	CHEMBL3424606	single protein format
CHEMBL2086891		IC50	=	66.0	nM	429.93	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1	Homo sapiens	CHEMBL2091160	single protein format
CHEMBL3423202		IC50	=	86.0	nM	313.31	NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1	Homo sapiens	CHEMBL3424606	single protein format
CHEMBL3423200		IC50	=	90.0	nM	434.43	NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	Homo sapiens	CHEMBL3424606	single protein format
CHEMBL1181839		IC50	=	100.0	nM	245.37	CC(=O)CSc1n[n+]2c(C)csc2s1	Homo sapiens	CHEMBL5234821	cell-free format
CHEMBL193220		IC50	=	100.0	nM	344.82	CC(=O)CSc1n[n+]2c(C)csc2s1.[O-][Cl+3]([O-])([O-])[O-]	Homo sapiens	CHEMBL877318	single protein format
CHEMBL3423203		IC50	=	100.0	nM	435.41	NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1	Homo sapiens	CHEMBL3424606	single protein format
CHEMBL190022		IC50	=	110.0	nM	438.54	CN(CCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nsc2nccn12	Homo sapiens	CHEMBL877318	single protein format
CHEMBL3423199		IC50	=	110.0	nM	234.25	Cc1ccc(NC(=O)[C@H]2O[C@H]2C(N)=O)cc1C	Homo sapiens	CHEMBL3424606	single protein format
CHEMBL3423197		IC50	=	130.0	nM	285.1	NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Br)cc1	Homo sapiens	CHEMBL3424606	single protein format
CHEMBL193212		IC50	=	130.0	nM	424.51	O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCCCCNc1nsc2nccn12	Homo sapiens	CHEMBL877318	single protein format
CHEMBL2086518		IC50	=	180.0	nM	367.43	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1	Homo sapiens	CHEMBL2091160	single protein format
CHEMBL2086528		IC50	=	180.0	nM	457.6	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1	Homo sapiens	CHEMBL2091160	single protein format
CHEMBL2367730		IC50	=	200.0	nM	439.54	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)cc1	Homo sapiens	CHEMBL2091160	single protein format