3D structures mapped by conservation among orthologs

[ Domain: "SET domain-like" // SET_5,zf-MYND ]

 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
CHEMBL3590526		IC50	=	2.8	nM	577.55	O=C1COc2c(cccc2[C@@H](O)CNCCN(C(=O)CCNCCc2ccc(Cl)c(Cl)c2)C2CCCCC2)N1	Homo sapiens	CHEMBL3592282	single protein format
CHEMBL3819011		IC50	=	3.0	nM	593.55	O=C1COc2c([C@@H](O)CNCCN(C(=O)CCNCCc3ccc(Cl)c(Cl)c3)C3CCCCC3)ccc(O)c2N1	Homo sapiens	CHEMBL5144037	single protein format
CHEMBL5187983		IC50	=	3.9	nM	411.9	O=C(NC1CN(Cc2cnn(Cc3ccc(Cl)cc3)c2)C1)c1cn(C2CC2)nn1	Homo sapiens	CHEMBL5118655	cell-based format
CHEMBL3590527		IC50	=	5.6	nM	577.55	O=C1COc2c(cccc2[C@H](O)CNCCN(C(=O)CCNCCc2ccc(Cl)c(Cl)c2)C2CCCCC2)N1	Homo sapiens	CHEMBL3592282	single protein format
CHEMBL4536230		IC50	=	6.0	nM	488.64	Cc1nc(N)c2ncn(C3CN(C(=O)c4ccn(CC5CCN(C6C=CCCCC6)CC5)c4)C3)c2n1	Homo sapiens	CHEMBL4376141	cell-based format
CHEMBL4520134		IC50	=	8.0	nM	501.68	Cc1cc2c(ncn2C2(C)CN(C(=O)c3ccn(CC4CCN([C@H]5C=CCCCC5)CC4)c3)C2)c(N)n1	Homo sapiens	CHEMBL4376141	cell-based format
CHEMBL4756148		IC50	=	12.0	nM	553.53	O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2OC2CN(CCc3ccc(Cl)c(Cl)c3)C2)c1	Homo sapiens	CHEMBL4681720	single protein format
CHEMBL5197760		IC50	=	16.0	nM	377.45	O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cn(C2CC2)nn1	Homo sapiens	CHEMBL5118655	cell-based format
CHEMBL4754902		IC50	=	17.0	nM	536.72	O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(CCc3c[nH]c4ccccc34)CC2)c1	Homo sapiens	CHEMBL4681720	single protein format
CHEMBL4798655		IC50	=	17.0	nM	580.56	O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1	Homo sapiens	CHEMBL4703275	cell-based format
CHEMBL3818487		IC50	=	19.0	nM	543.33	CCN(C(=O)CO)[C@H]1CN(/C(=N\C#N)Nc2cc(F)cc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1	Homo sapiens	CHEMBL3821408	assay format
CHEMBL4449427		IC50	=	23.0	nM	490.66	Cc1nc(N)c2ncn(C3CN(C(=O)c4ccn(CC5CCN(C6CCCCCC6)CC5)c4)C3)c2n1	Homo sapiens	CHEMBL4376141	cell-based format
CHEMBL4747370		IC50	=	24.0	nM	594.59	O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)CCc3ccc(Cl)c(Cl)c3)CC2)c1	Homo sapiens	CHEMBL4703275	cell-based format
CHEMBL3818617		IC50	=	27.0	nM	525.34	CCN(C(=O)CO)[C@H]1CN(/C(=N\C#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1	Homo sapiens	CHEMBL3821408	assay format
CHEMBL4755178		IC50	=	28.0	nM	560.75	N#Cc1cc(C(=O)NCCCN2CCCC2)cc(-c2ccccc2N2CCN(CCc3c[nH]c4ccccc34)CC2)c1	Homo sapiens	CHEMBL4681720	single protein format
CHEMBL4792378		IC50	=	31.0	nM	535.74	Cc1cccc(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c1	Homo sapiens	CHEMBL4681720	single protein format
CHEMBL4590955		IC50	=	32.0	nM	505.67	Cc1nc(N)c2ncn(C3CN(C(=O)c4cc(CC5CCN(C6CCCCCC6)CC5)n(C)n4)C3)c2n1	Homo sapiens	CHEMBL4376141	cell-based format
CHEMBL3819284		IC50	=	38.0	nM	504.93	CCN(C(=O)CO)[C@H]1CN(/C(=N\C#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(C)c1	Homo sapiens	CHEMBL3821408	assay format
CHEMBL4763303		IC50	=	38.0	nM	566.58	O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c1	Homo sapiens	CHEMBL4681720	single protein format
CHEMBL4762851		IC50	=	39.0	nM	527.71	COc1cccc(CNC2CCN(c3ccccc3-c3cncc(C(=O)NCCCN4CCCC4)c3)CC2)c1	Homo sapiens	CHEMBL4681720	single protein format