3D structures mapped by conservation among orthologs

[ Domain: "SET domain-like" // zf-MYND,SET ]

 PyMOL session

[ Domain: "ARM repeat" // TPR_11_7 ]

 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
CHEMBL4551287		IC50	<	1.0	nM	519.64	O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3cncc(F)c3)CC2)CC1)c1cc(C2CC2)on1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL4460507		IC50	<	1.0	nM	519.64	O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccc(F)cn3)CC2)CC1)c1cc(C2CC2)on1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL3797749		IC50	=	1.0	nM	482.01	NC1CCN(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2cc4c(cc2Cl)NC(=O)C4)C3)CC1	Homo sapiens	CHEMBL3803119	assay format
CHEMBL4460836		IC50	<	1.0	nM	438.59	CN(C)[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL4549988		IC50	<	1.0	nM	536.1	O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccc(Cl)cn3)CC2)CC1)c1cc(C2CC2)on1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL4465394		IC50	<	1.0	nM	500.67	O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccccc3)CC2)CC1)c1cc(C2CC2)on1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL4452997		IC50	<	1.0	nM	534.65	CN(CCCC(F)(F)F)[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL4584383		IC50	<	1.0	nM	506.59	O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCCC(F)(F)F)CC2)CC1)c1cc(C2CC2)on1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL4472528		IC50	<	1.0	nM	518.66	O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3cccc(F)c3)CC2)CC1)c1cc(C2CC2)on1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL4559031		IC50	<	1.0	nM	535.11	O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccc(Cl)cc3)CC2)CC1)c1cc(C2CC2)on1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL4532881		IC50	<	1.0	nM	514.69	Cc1ccccc1CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL4594207		IC50	=	1.3	nM	518.66	O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccc(F)cc3)CC2)CC1)c1cc(C2CC2)on1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL4573978		IC50	=	1.6	nM	396.51	N[C@H]1CC[C@H](S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL4515665		IC50	=	2.5	nM	518.66	O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccccc3F)CC2)CC1)c1cc(C2CC2)on1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL4521928		IC50	=	2.5	nM	410.54	N[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL4460946		IC50	=	3.2	nM	520.62	O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCCCC(F)(F)F)CC2)CC1)c1cc(C2CC2)on1	Homo sapiens	CHEMBL4338950	cell-based format
CHEMBL3799542		IC50	=	4.0	nM	446.57	O=C1Cc2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H](C3)N4S(=O)(=O)CC3CCNCC3)ccc2N1	Homo sapiens	CHEMBL3803119	assay format
CHEMBL3799083		IC50	=	4.0	nM	446.57	N[C@H]1CC[C@H](S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2ccc4c(c2)CC(=O)N4)C3)CC1	Homo sapiens	CHEMBL3803119	assay format
CHEMBL3798745		IC50	=	4.0	nM	481.02	O=C1Cc2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H](C3)N4S(=O)(=O)C[C@H]3CCCNC3)c(Cl)cc2N1	Homo sapiens	CHEMBL3803119	assay format
CHEMBL3800480		IC50	=	4.0	nM	481.02	O=C1Cc2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H](C3)N4S(=O)(=O)CC3CCNCC3)c(Cl)cc2N1	Homo sapiens	CHEMBL3803119	assay format