3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // KOG3841 ]

 PyMOL session

[ Domain: "tri-helical" // TEA ]

 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
CHEMBL5408536		IC50	=	3.0	nM	426.78	C=C(Cl)C(=O)NCc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12	Homo sapiens	CHEMBL5374056	single protein format
CHEMBL5438256		IC50	=	3.0	nM	397.78	CN(Cc1nn(-c2ccc(OC(F)(F)F)cc2)c2ccccc12)C(=O)CCl	Homo sapiens	CHEMBL5374056	single protein format
CHEMBL5401444		IC50	=	3.0	nM	403.36	C=CC(=O)N1CC(c2nc(-c3ccc(OC(F)(F)F)cc3)c3ncn(C)c3n2)C1	Homo sapiens	CHEMBL5369242	single protein format
CHEMBL5422959		IC50	=	3.0	nM	406.39	C=CC(=O)N1CC(c2nc(-c3ccc(OC(F)(F)F)cc3)c3ncsc3n2)C1	Homo sapiens	CHEMBL5369242	single protein format
CHEMBL5411200		IC50	=	4.0	nM	412.37	C#Cc1ccnc2c1c(C1CN(C(=O)C=C)C1)nn2-c1ccc(OC(F)(F)F)cc1	Homo sapiens	CHEMBL5374056	single protein format
CHEMBL5403826		IC50	=	4.0	nM	390.32	C#CC(=O)NCc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12	Homo sapiens	CHEMBL5374056	single protein format
CHEMBL5419829		IC50	=	4.0	nM	429.42	C=CS(=O)(=O)NCc1cc(-c2ccc(OC(F)(F)F)cc2)c2c(c1CO)CCO2	Homo sapiens	CHEMBL5369242	single protein format
CHEMBL5415215		IC50	=	4.0	nM	407.39	C=CC(=O)N(C)Cc1cc(-c2ccc(OC(F)(F)F)cc2)c2c(c1CO)CCO2	Homo sapiens	CHEMBL5369242	single protein format
CHEMBL5416415		IC50	=	6.0	nM	429.4	C=CC(=O)NCc1cc(-c2ccc(OC(F)(F)F)cc2)c2ncn(C)c2c1C#CCO	Homo sapiens	CHEMBL5369242	single protein format
CHEMBL5400400		IC50	=	7.0	nM	429.4	Cn1cnc2c(-c3ccc(OC(F)(F)F)cc3)nc(C3CN(C(=O)C4=CCC4)C3)nc21	Homo sapiens	CHEMBL5369242	single protein format
CHEMBL5428867		IC50	=	8.0	nM	452.82	O=C(/C=C/CO)N1CC(c2nn(-c3ccc(OC(F)(F)F)cc3)c3nccc(Cl)c23)C1	Homo sapiens	CHEMBL5374056	single protein format
CHEMBL5432828		IC50	=	10.0	nM	418.38	C=CC(=O)N1CC(c2nn(-c3ccc(OC(F)(F)F)cc3)c3nccc(CO)c23)C1	Homo sapiens	CHEMBL5374056	single protein format
CHEMBL4129172		IC50	=	83.0	nM	368.51	O=C(CSc1nnc[nH]1)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1	Homo sapiens	CHEMBL4120897	cell-based format
CHEMBL5421144		IC50	<	100.0	nM	311.3	C=CC(=O)NC12CC(COc3cccc(C(F)(F)F)c3)(C1)C2	Homo sapiens	CHEMBL5360856	cell-based format
CHEMBL5438096		IC50	<	100.0	nM	355.36	C=CC(=O)Nc1cc(/C=C/[C@H]2CC[C@H](C(F)(F)F)CC2)c(OC)nn1	Homo sapiens	CHEMBL5360848	single protein format
CHEMBL5409535		IC50	<	100.0	nM	317.34	C=CC(=O)Nc1cc(/C=C/C2CCC(F)(F)CC2)c(C#N)cn1	Homo sapiens	CHEMBL5360848	single protein format
CHEMBL5430925		IC50	<	100.0	nM	351.37	C=CC(=O)Nc1cc(/C=C/C2CCC(F)(F)CC2)c2c(c1F)CCO2	Homo sapiens	CHEMBL5360848	single protein format
CHEMBL5423354		IC50	<	100.0	nM	283.38	C=CC(=O)Nc1ccc(-c2ccn(CCCCC)n2)cc1	Homo sapiens	CHEMBL5360852	cell-based format
CHEMBL5439933		IC50	<	100.0	nM	270.33	C=CC(=O)Nc1ccc(-c2cc(CCCC)on2)cc1	Homo sapiens	CHEMBL5360852	cell-based format
CHEMBL5414937		IC50	<	100.0	nM	317.65	C=CC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)c(Cl)c1	Homo sapiens	CHEMBL5360852	cell-based format