3D structures mapped by conservation among orthologs

[ Domain: "RuvA-C, UBA, CRAL/TRIO-N, HBS1" // UBA_MELK ]

 PyMOL session

[ Domain: "Protein kinase" // Pkinase_Tyr ]

 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
CHEMBL4077934		IC50	=	0.15	nM	563.66	COc1ccc2nc(CNC(=O)c3ccc(-c4cnc(Nc5ccccc5)nc4OCC4CCNCC4)cc3)[nH]c2c1	Homo sapiens	CHEMBL4006633	single protein format
CHEMBL3688335		IC50	=	0.3	nM	473.4	CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](N(C)C)CC1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL3824328		IC50	=	0.3	nM	437.52	Fc1cc(N2CCOCC2)ccc1-n1cc(-c2ccncc2OCC2CCNCC2)cn1	Homo sapiens	CHEMBL3824963	single protein format
CHEMBL3688376		IC50	=	0.3	nM	503.43	CN(C)C[C@H]1CC[C@H](Nc2c(C(=O)CO)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL3692787		IC50	=	0.4	nM	513.47	CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL3688339		IC50	=	0.4	nM	487.43	CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL3692824		IC50	=	0.46	nM	533.01	N[C@@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)nc34)cn2)C1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL3692807		IC50	=	0.5	nM	482.99	CN(C)[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL3688337		IC50	=	0.5	nM	513.47	CN(C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL3688348		IC50	=	0.5	nM	509.46	CN(C)[C@H]1CC[C@H](Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL3692797		IC50	=	0.5	nM	523.42	CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1ccc(N2CCC[C@H](N)C2)nc1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL388978		IC50	=	0.542	nM	466.54	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	Homo sapiens	CHEMBL4328495	single protein format
CHEMBL3692796		IC50	=	0.6	nM	528.48	CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN2CCNCC2)CC1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL3692806		IC50	=	0.6	nM	499.44	CN(C)[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL3692815		IC50	=	0.6	nM	487.43	CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1NC[C@H]1CC[C@H](N(C)C)CC1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL3692820		IC50	=	0.6	nM	487.43	CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@@H](CN(C)C)CC1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL3688380		IC50	=	0.6	nM	517.46	CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)CCO)CC1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL3684241		IC50	=	0.66	nM	515.44	CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1	Homo sapiens	CHEMBL3705873	single protein format
CHEMBL3688342		IC50	=	0.7	nM	501.46	CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CCN(C)C)CC1	Homo sapiens	CHEMBL3706362	single protein format
CHEMBL3688360		IC50	=	0.7	nM	459.38	CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1NCC1CCN(C)CC1	Homo sapiens	CHEMBL3706362	single protein format