3D structures mapped by conservation among orthologs

[ Domain: "Transferrin receptor ectodomain, C-terminal domain" // TFR_dimer ]

 PyMOL session

[ Domain: "Zn-dependent exopeptidases" // Peptidase_M28 ]

 PyMOL session

[ Domain: "The "swivelling" beta/beta/alpha domain" // PA ]

 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
CHEMBL510924		IC50	=	0.021	nM	549.32	O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4270348	single protein format
CHEMBL4284995		IC50	=	0.075	nM	442.4	CN(C(=O)CCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)c1ccc(F)nc1	Homo sapiens	CHEMBL4270348	single protein format
CHEMBL4280968		IC50	=	0.13	nM	575.55	O=C(O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)N(CCNC(=O)c1ccc(F)nc1)c1ccccc1)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4270348	single protein format
CHEMBL4286872		IC50	=	0.15	nM	574.56	O=C(O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)N(CCNC(=O)c1ccc(F)cc1)c1ccccc1)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4270348	single protein format
CHEMBL4288368		IC50	=	0.2	nM	441.41	CN(C(=O)CCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)c1ccc(F)cc1	Homo sapiens	CHEMBL4270348	single protein format
CHEMBL4277729		IC50	=	0.28	nM	427.39	O=C(O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)Nc1cccc(F)c1)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4270348	single protein format
CHEMBL47009		IC50	=	0.3	nM	226.12	O=C(O)CCC(CP(=O)(O)O)C(=O)O	Homo sapiens	CHEMBL680918	single protein format
CHEMBL4291782		IC50	=	0.35	nM	427.39	O=C(O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)Nc1ccc(F)cc1)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4270348	single protein format
CHEMBL4291245		IC50	=	0.46	nM	455.44	CN(Cc1cccc(F)c1)C(=O)CCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4270348	single protein format
CHEMBL596351		IC50	=	0.5	nM	304.3	CC(C)C[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4311581	cell-based format
CHEMBL1289263		IC50	=	0.55	nM	482.38	N[C@@H](CCC(=O)N[C@@H](COP(=O)([O-])O[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O.[K+]	Homo sapiens	CHEMBL1293029	cell-based format
CHEMBL4283406		IC50	=	0.64	nM	455.44	CN(Cc1ccc(F)cc1)C(=O)CCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4270348	single protein format
CHEMBL4442450		IC50	=	0.65	nM	305.28	CC(C)C[C@H](NC(=O)O[C@@H](CCC(=O)O)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4311581	cell-based format
CHEMBL241779		IC50	=	0.86	nM	250.84	O=C([O-])CC[C@H](NP(=O)([O-])[O-])C(=O)[O-].[Li+].[Li+].[Li+].[Li+]	Homo sapiens	CHEMBL925267	single protein format
CHEMBL4294773		IC50	=	0.94	nM	498.46	O=C(O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)NCCNC(=O)c1ccc(F)cc1)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4270348	single protein format
CHEMBL4292853		IC50	=	0.99	nM	428.37	O=C(O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)Nc1ccc(F)nc1)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4270348	single protein format
CHEMBL4291603		IC50	=	1.11	nM	499.45	O=C(O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)NCCNC(=O)c1ccc(F)nc1)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4270348	single protein format
CHEMBL4281573		IC50	=	1.19	nM	535.5	O=C(O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4270348	single protein format
CHEMBL4289458		IC50	=	1.31	nM	496.49	O=C(O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4270348	single protein format
CHEMBL4299851		IC50	=	1.56	nM	442.4	O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)nc1)C(=O)O)C(=O)O	Homo sapiens	CHEMBL4358815	cell-based format