3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // V-set_11 ]

 PyMOL session

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // I-set_8 ]

 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
CHEMBL4776700		IC50	=	1.0	nM	376.53	Cn1cnc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c1	Homo sapiens	CHEMBL4775268	single protein format
CHEMBL4776444		IC50	=	1.0	nM	597.07	Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CNC(C)(C)C(=O)O)cc2Cl)cccc1-c1ccc2ocnc2c1	Homo sapiens	CHEMBL4775268	single protein format
CHEMBL4084368		IC50	=	2.25	nM	594.66	Cc1cc(CN[C@H](CO)C(=O)O)c(OCc2cccc(C#N)c2)cc1OCc1cccc(-c2ccc3c(c2)OCCO3)c1C	Homo sapiens	CHEMBL4017391	single protein format
CHEMBL3582257		IC50	=	6.0	nM	467.56	COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNC(CO)(CO)CO	Homo sapiens	CHEMBL3583018	single protein format
CHEMBL4081869		IC50	=	6.0	nM	448.56	COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNCCNC(C)=O	Homo sapiens	CHEMBL4017391	single protein format
CHEMBL3582256		IC50	=	6.0	nM	486.57	COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCCC[C@H]1C(=O)O	Homo sapiens	CHEMBL3583018	single protein format
CHEMBL3582254		IC50	=	6.0	nM	409.91	Cc1c(COc2ccc(CN[C@H](C)C(=O)O)cc2Cl)cccc1-c1ccccc1	Homo sapiens	CHEMBL3583018	single protein format
CHEMBL3582252		IC50	=	6.0	nM	475.59	COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CN1CCCC[C@H]1C(=O)O	Homo sapiens	CHEMBL3583018	single protein format
CHEMBL4061613		IC50	=	6.0	nM	449.59	COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CN[C@@H](CO)C(C)C	Homo sapiens	CHEMBL4017391	single protein format
CHEMBL4877001		IC50	<	10.0	nM	501.58	Cc1cc(C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)c2C)ncc1CN1CCCC[C@H]1C(=O)O	Homo sapiens	CHEMBL4817958	single protein format
CHEMBL4871633		IC50	=	10.2	nM	574.9	C[C@@H](O)[C@H](NCc1cc(Cl)c(OCc2cccc(-c3ccccc3)c2Br)cc1OCC1CC1)C(=O)O	Homo sapiens	CHEMBL4817958	single protein format
CHEMBL4089730		IC50	=	18.0	nM	419.53	COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O	Homo sapiens	CHEMBL4017391	single protein format
CHEMBL4537970		IC50	=	18.0	nM	527.54	Cc1c(/C=C/c2cc(CNC(C)(CO)C(=O)O)ccc2C(F)(F)F)cccc1-c1ccc2c(c1)OCCO2	Homo sapiens	CHEMBL4817958	single protein format
CHEMBL5432092		IC50	=	21.0	nM	456.55	COC(=O)[C@@H](Cn1cncn1)NCc1cccc(OCc2cccc(-c3ccccc3)c2C)c1	Homo sapiens	CHEMBL5369723	single protein format
CHEMBL5429162		IC50	=	22.0	nM	597.89	O=C(O)[C@@H](CO)NCc1cc(Cl)c(OCc2cccc(-c3ccccc3)c2Br)cc1OCc1cccnc1	Homo sapiens	CHEMBL5369723	single protein format
CHEMBL5266711		IC50	=	22.0	nM	445.56	COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CCCC1CC(=O)N1	Homo sapiens	CHEMBL5390068	assay format
CHEMBL5411444		IC50	=	35.0	nM	489.62	Cc1c(CN2CCCC(C(=O)N[C@H](Cn3cncn3)C(=O)OC(C)C)C2)cccc1-c1ccccc1	Homo sapiens	CHEMBL5369723	single protein format
CHEMBL5197008		IC50	=	37.0	nM	376.4	CC(O)[C@H](NC(=O)N[C@@H](CC(N)=O)c1nnc([C@@H](N)CO)s1)C(=O)O	Homo sapiens	CHEMBL5096766	single protein format
CHEMBL5315609		IC50	=	43.0	nM	531.53	Cc1c(COc2cc(CNCC(O)CC(=O)O)ccc2C(F)(F)F)cccc1-c1ccc2c(c1)OCCO2	Homo sapiens	CHEMBL5390068	assay format
CHEMBL5411746		IC50	=	63.0	nM	488.59	CC(C)OC(=O)[C@@H](Cn1ccnc1)NC(=O)C1CCCN(C(=O)c2cccc(-c3ccccc3)c2)C1	Homo sapiens	CHEMBL5369723	single protein format