3D structures mapped by conservation among orthologs

[ Domain: "mRNA decapping enzyme DcpS N-terminal domain" // DcpS ]

 PyMOL session

[ Domain: "HIT-related" // DcpS_C ]

 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
CHEMBL251428		IC50	=	0.02	nM	302.28	Nc1nc(N)c2c(COc3ccc(F)cc3F)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL251906		IC50	=	0.02	nM	284.29	Nc1nc(N)c2c(COc3ccccc3F)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL4465809		IC50	<	0.02	nM	348.36	Nc1nc(N)c2c(OCc3ccc(S(=O)(=O)F)cc3)cccc2n1	Homo sapiens	CHEMBL4351061	single protein format
CHEMBL4080254		IC50	=	0.03	nM	363.47	Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4)CC3)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL4082618		IC50	=	0.04	nM	415.9	Nc1nc(N)c2c(OCC3CCN(Cc4c(F)cccc4Cl)CC3)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL255019		IC50	=	0.05	nM	300.75	Nc1nc(N)c2c(COc3cccc(Cl)c3)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL4072132		IC50	=	0.069	nM	432.36	Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL4077061		IC50	=	0.11	nM	309.3	N#Cc1cc(F)cc(OCc2cccc3nc(N)nc(N)c23)c1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL250072		IC50	=	0.11	nM	397.91	Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4Cl)CC3)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL398675		IC50	=	0.19	nM	302.28	Nc1nc(N)c2c(OCc3cc(F)cc(F)c3)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL4062544		IC50	=	0.25	nM	284.29	Nc1nc(N)c2c(COc3cccc(F)c3)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL4061457		IC50	=	0.27	nM	281.32	Cc1ncccc1OCc1cccc2nc(N)nc(N)c12	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL399673		IC50	=	0.29	nM	300.75	Nc1nc(N)c2c(COc3ccccc3Cl)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL4076514		IC50	=	0.32	nM	432.36	Nc1nc(N)c2c(OCC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL342595		IC50	=	1.01	nM	266.3	Nc1nc(N)c2c(OCc3ccccc3)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL4103454		IC50	=	1.39	nM	447.46	Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4OC(F)(F)F)CC3)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL4068466		IC50	=	1.77	nM	274.32	Nc1nc(N)c2c(OCC3CCOCC3)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL4072481		IC50	=	2.3	nM	274.32	Nc1nc(N)c2c(COC3CCOCC3)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL250231		IC50	=	2.89	nM	300.75	Nc1nc(N)c2c(OCc3cccc(Cl)c3)cccc2n1	Homo sapiens	CHEMBL4010335	single protein format
CHEMBL251429		IC50	=	7.62	nM	381.45	Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1	Homo sapiens	CHEMBL3992399	single protein format