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    Ki 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
CHEMBL4076082		IC50	=	6.0	nM	430.53	C=CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1	Homo sapiens	CHEMBL4024883	single protein format
CHEMBL3423198		IC50	=	9.6	nM	319.54	NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1	Homo sapiens	CHEMBL3424618	single protein format
CHEMBL2086528		IC50	=	10.0	nM	457.6	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1	Homo sapiens	CHEMBL2091156	single protein format
CHEMBL2086544		IC50	=	14.0	nM	459.57	C=CC(=O)Nc1ncc(S(=O)(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cn1	Homo sapiens	CHEMBL2091156	single protein format
CHEMBL2203451		IC50	=	14.0	nM	477.61	C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(c2cccc(C)n2)CC1	Homo sapiens	CHEMBL2214887	single protein format
CHEMBL3949090		IC50	=	14.0	nM	428.47	O=C(CCOc1ccccc1)N1CCN(C(=O)n2sc3c(ccc[n+]3[O-])c2=O)CC1	Homo sapiens	CHEMBL3887909	single protein format
CHEMBL2086541		IC50	=	15.0	nM	458.58	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cn1	Homo sapiens	CHEMBL2091156	single protein format
CHEMBL2086523		IC50	=	20.0	nM	460.6	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCC4CCCCC4C3)CC2)cc1	Homo sapiens	CHEMBL2091156	single protein format
CHEMBL2086530		IC50	=	25.0	nM	386.48	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ncccc3C)CC2)cc1	Homo sapiens	CHEMBL2091156	single protein format
CHEMBL2086889		IC50	=	25.0	nM	313.32	CCn1nc(-c2ccc(OC)cc2)nc2c(=O)n(C)c(=O)nc1-2	Homo sapiens	CHEMBL2091156	single protein format
CHEMBL2086524		IC50	=	26.0	nM	460.6	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCC4CCCCC43)CC2)cc1	Homo sapiens	CHEMBL2091156	single protein format
CHEMBL2086542		IC50	=	26.0	nM	397.46	C=CC(=O)Nc1ncc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1	Homo sapiens	CHEMBL2091156	single protein format
CHEMBL2086480		IC50	=	32.0	nM	391.49	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1	Homo sapiens	CHEMBL2091156	single protein format
CHEMBL2367730		IC50	=	34.0	nM	439.54	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)cc1	Homo sapiens	CHEMBL2091156	single protein format
CHEMBL2086531		IC50	=	35.0	nM	386.48	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)n3)CC2)cc1	Homo sapiens	CHEMBL2091156	single protein format
CHEMBL2086525		IC50	=	37.0	nM	406.51	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1	Homo sapiens	CHEMBL2091156	single protein format
CHEMBL2086526		IC50	=	41.0	nM	442.49	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCC(F)(F)CC3)CC2)cc1	Homo sapiens	CHEMBL2091156	single protein format
CHEMBL2086519		IC50	=	44.0	nM	407.49	C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OC3CCCC3)CC2)cc1	Homo sapiens	CHEMBL2091156	single protein format
CHEMBL4081588		IC50	=	45.0	nM	528.61	CCC(CC)CNC(=O)Cn1cccc(NC(=O)[C@H](CC/C=C/C(=O)OC)NC(=O)c2cncn2C)c1=O	Homo sapiens	CHEMBL4024878	single protein format
CHEMBL3968388		IC50	=	45.0	nM	348.38	O=C(C1CC1)N1CCN(C(=O)n2sc3c(ccc[n+]3[O-])c2=O)CC1	Homo sapiens	CHEMBL3887909	single protein format