3D structures mapped by conservation among orthologs

[ Domain: "Kinase suppressor of Ras 1 helical hairpin domain" // EUF08088 ]

 PyMOL session

[ Domain: "Kinase suppressor of Ras 1 helical hairpin domain" // UNK_F_TYPE ]

 PyMOL session

[ Domain: "Ubiquitin-like" // RBD ]

 PyMOL session

[ Domain: "Protein kinase" // Pkinase_Tyr ]

 PyMOL session

[ Domain: "Cysteine-rich domain" // C1_1 ]

 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
CHEMBL500659		IC50	=	0.02	nM	304.35	Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1	Homo sapiens	CHEMBL1008210	single protein format
CHEMBL526479		IC50	=	0.03	nM	373.46	O/N=C1\CCc2cc(-c3cn(C4CCNCC4)nc3-c3ccncc3)ccc21	Homo sapiens	CHEMBL1008210	single protein format
CHEMBL498344		IC50	=	0.04	nM	388.47	O/N=C1\CCc2cc(-c3cn([C@@H]4CCC[C@H](O)C4)nc3-c3ccncc3)ccc21	Homo sapiens	CHEMBL1008210	single protein format
CHEMBL527029		IC50	=	0.05	nM	348.41	OCCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1	Homo sapiens	CHEMBL1008210	single protein format
CHEMBL3651683		IC50	=	0.08	nM	475.94	CS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NCCC#N)n2)c1F	Homo sapiens	CHEMBL3887046	single protein format
CHEMBL3651664		IC50	=	0.08	nM	466.97	CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(N)n2)c1F	Homo sapiens	CHEMBL3887046	single protein format
CHEMBL521562		IC50	=	0.09	nM	388.47	O/N=C1\CCc2cc(-c3cn([C@@H]4CCC[C@@H](O)C4)nc3-c3ccncc3)ccc21	Homo sapiens	CHEMBL1008210	single protein format
CHEMBL3651609		IC50	=	0.1	nM	564.11	CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1	Homo sapiens	CHEMBL3887046	single protein format
CHEMBL1276185		IC50	<	0.1	nM	534.57	CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c5[nH]ncc45)c(-c4ccncc4)nn23)c(F)c1	Homo sapiens	CHEMBL1285565	single protein format
CHEMBL1276170		IC50	<	0.1	nM	533.04	CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)c(Cl)c1	Homo sapiens	CHEMBL1285565	single protein format
CHEMBL3651610		IC50	=	0.1	nM	562.1	COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)C3CC3)c2)n1	Homo sapiens	CHEMBL3887046	single protein format
CHEMBL3651662		IC50	=	0.1	nM	520.92	Nc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1	Homo sapiens	CHEMBL3887046	single protein format
CHEMBL3752213		IC50	=	0.1	nM	522.57	CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnc(NC[C@H](C)NC(=O)OC)cc3cc2OC)c1F	Homo sapiens	CHEMBL3755449	single protein format
CHEMBL3651613		IC50	=	0.1	nM	550.09	CCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1	Homo sapiens	CHEMBL3887046	single protein format
CHEMBL3651658		IC50	=	0.11	nM	489.96	CC1(c2nc(-c3ccnc(NCCC#N)n3)c(-c3cc(Cl)cc(NS(C)(=O)=O)c3F)[nH]2)CC1	Homo sapiens	CHEMBL3887046	single protein format
CHEMBL1276186		IC50	=	0.11	nM	552.56	CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4ccc(F)c5[nH]ncc45)c(-c4ccncc4)nn23)c(F)c1	Homo sapiens	CHEMBL1285565	single protein format
CHEMBL2047875		IC50	=	0.11	nM	455.87	Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)CCCF)c3F)cccc12	Homo sapiens	CHEMBL2050455	cell-based format
CHEMBL3651680		IC50	=	0.11	nM	464.95	CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC)n2)c1Cl	Homo sapiens	CHEMBL3887046	single protein format
CHEMBL3651703		IC50	=	0.12	nM	565.65	CCCS(=O)(=O)Nc1c(F)ccc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F	Homo sapiens	CHEMBL3887046	single protein format
CHEMBL525191		IC50	=	0.13	nM	334.38	OCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1	Homo sapiens	CHEMBL1008210	single protein format