3D structures mapped by conservation among orthologs

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

 PyMOL session

[ Domain: "EF-hand" // Cbl_N2 ]

 PyMOL session

[ Domain: "N-terminal domain of cbl (N-cbl)" // Cbl_N ]

 PyMOL session

[ Domain: "SH2" // Cbl_N3 ]

 PyMOL session

[ Domain: "RING/U-box" // zf-C3HC4_3 ]

 PyMOL session

 [ Alpha Fold Model ] (go)

 Known binders annotated in ChEMBL

 IC50 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
CHEMBL5435999		IC50	=	3.0	nM	562.64	Cn1cnnc1C(c1cccc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)c1)[C@H]1C[C@H](CC#N)C1	Homo sapiens	CHEMBL5363680	single protein format
CHEMBL5413349		IC50	=	4.0	nM	568.64	CCOc1cc([C@]2(c3nncn3C)C[C@@H](C)C2)cc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)n1	Homo sapiens	CHEMBL5363680	single protein format
CHEMBL5413442		IC50	=	4.0	nM	544.02	Cn1cnnc1[C@]1(c2cccc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)C[C@H](Cl)C1	Homo sapiens	CHEMBL5363680	single protein format
CHEMBL5428784		IC50	=	4.0	nM	508.04	C[C@H](NC1(C)CCC1)c1cc(Cl)c2c(c1)C(=O)N(c1cccc([C@]3(c4nncn4C)C[C@H](F)C3)c1)C2	Homo sapiens	CHEMBL5363680	single protein format
CHEMBL5416493		IC50	=	4.0	nM	551.61	CO[C@H]1C[C@](c2cccc(N3Cc4c(cc(CNC5CC6CC6C5)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1	Homo sapiens	CHEMBL5363680	single protein format
CHEMBL5404107		IC50	=	4.0	nM	539.6	C[C@H](NC1(C)CCC1)c1cc2c(c(C(F)(F)F)c1)CN(c1cccc([C@@H](c3nncn3C)C3COC3)c1)C2=O	Homo sapiens	CHEMBL5363680	single protein format
CHEMBL5188760		IC50	=	5.6	nM	566.63	Cn1cnnc1CC1(c2cc(C3CC3)nc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)COC1	Homo sapiens	CHEMBL5120604	single protein format
CHEMBL5171228		IC50	=	5.8	nM	573.61	C[C@@H](NC1(C)CCC1)c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)CC(F)(F)C3)c1)C2=O	Homo sapiens	CHEMBL5120604	single protein format
CHEMBL5178829		IC50	=	6.0	nM	566.67	CCNc1cc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)cc(C2(Cc3nncn3C)CCC2)c1	Homo sapiens	CHEMBL5120604	single protein format
CHEMBL5177497		IC50	=	6.7	nM	557.59	C[C@@H](NC1(C)CCC1)c1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3([C@@H](F)c4nncn4C)COC3)c1)C2=O	Homo sapiens	CHEMBL5120604	single protein format
CHEMBL5421689		IC50	=	9.0	nM	537.63	C[C@H]1CCCN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c2)C3=O)C1	Homo sapiens	CHEMBL5393375	cell-based format
CHEMBL5410941		IC50	=	10.0	nM	468.56	C[C@@H]1CN(Cc2ccccc2C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)CCO1	Homo sapiens	CHEMBL5393375	cell-based format
CHEMBL5408828		IC50	=	13.0	nM	468.56	C[C@H]1CN(Cc2ccccc2C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)CCO1	Homo sapiens	CHEMBL5393375	cell-based format
CHEMBL5400157		IC50	=	13.0	nM	569.66	COCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](NC(=O)c1ccccc1CN1CCO[C@@H](C)C1)N=C2c1ccccc1	Homo sapiens	CHEMBL5393375	cell-based format
CHEMBL5434221		IC50	=	15.0	nM	469.55	C[C@H]1CN(Cc2ccccc2C(=O)N[C@H]2N=C(c3ccccc3)c3ccncc3NC2=O)CCO1	Homo sapiens	CHEMBL5393375	cell-based format
CHEMBL5409626		IC50	=	26.0	nM	468.56	C[C@H]1CN(Cc2ccccc2C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)CCO1	Homo sapiens	CHEMBL5393375	cell-based format
CHEMBL5401615		IC50	=	31.0	nM	468.56	C[C@@H]1CN(Cc2ccccc2C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)CCO1	Homo sapiens	CHEMBL5393375	cell-based format
CHEMBL5402068		IC50	=	94.0	nM	454.53	O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1CN1CCOCC1	Homo sapiens	CHEMBL5393375	cell-based format
CHEMBL5085977		IC50	<	100.0	nM	499.49	Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(OC5CNC5)cc4C(F)(F)F)C3=O)c2)COC1	Homo sapiens	CHEMBL5051161	single protein format
CHEMBL5085233		IC50	<	100.0	nM	484.48	Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(OC5CC5)cc4C(F)(F)F)C3=O)c2)COC1	Homo sapiens	CHEMBL5051161	single protein format