3D structures mapped by conservation among orthologs

[ Domain: "SWIB/MDM2 domain" // SWIB ]

 PyMOL session

[ Domain: "Rubredoxin-related" // zf-RanBP ]

 PyMOL session

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

 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
CHEMBL3657129		IC50	=	0.21	nM	555.42	COc1ncc(-c2nc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1	Homo sapiens	CHEMBL5223975	single protein format
CHEMBL4068667		IC50	=	3.3	nM	461.56	CC(CC(=O)N[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)C(=O)O)c1ccccc1	Homo sapiens	CHEMBL4019947	cell-based format
CHEMBL4065471		IC50	=	4.6	nM	599.73	O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)C(=O)O	Homo sapiens	CHEMBL4019947	cell-based format
CHEMBL4095983		IC50	=	6.1	nM	523.63	O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)C(=O)O	Homo sapiens	CHEMBL4019947	cell-based format
CHEMBL4105199		IC50	=	10.4	nM	479.58	COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1	Homo sapiens	CHEMBL4019947	cell-based format
CHEMBL4095042		IC50	=	10.7	nM	407.9	O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccc(Cl)cc1)C(=O)O	Homo sapiens	CHEMBL4019947	cell-based format
CHEMBL4165669		IC50	=	12.1	nM	454.49	C[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)c1ccccc1	Homo sapiens	CHEMBL4145047	cell-based format
CHEMBL5199785		IC50	=	18.3	nM	488.57	COc1cc(Cc2c(-c3ccn(S(=O)(=O)c4ccccc4)c3)[nH]c3ccccc23)cc(O)c1OC	Homo sapiens	CHEMBL5110384	single protein format
CHEMBL4080951		IC50	=	22.8	nM	403.48	COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1	Homo sapiens	CHEMBL4019947	cell-based format
CHEMBL5204846		IC50	=	24.7	nM	518.9	Cc1c(Cl)ccc2cc(/C=C3\NC(=O)N(C(C(=O)NC(CO)CO)c4ccc(F)c(F)c4)C3=O)[nH]c12	Homo sapiens	CHEMBL5110384	single protein format
CHEMBL3220312		IC50	=	25.0	nM	518.9	Cc1c(Cl)ccc2c(/C=C3\NC(=O)N(C(C(=O)NC(CO)CO)c4ccc(F)c(F)c4)C3=O)c[nH]c12	Homo sapiens	CHEMBL3223533	single protein format
CHEMBL5267044		IC50	=	41.0	nM	401.8	Cc1c(Cl)ccc2c(/C=C3\NC(=O)N(Cc4ccc(F)c(F)c4)C3=O)c[nH]c12	Homo sapiens	CHEMBL5223964	single protein format
CHEMBL4064911		IC50	=	55.8	nM	479.58	O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O	Homo sapiens	CHEMBL4019947	cell-based format
CHEMBL4170132		IC50	=	57.5	nM	504.55	N=C(N)Nc1cccc(C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCCc2ccc3ccccc3c2)c1	Homo sapiens	CHEMBL4145047	cell-based format
CHEMBL4169540		IC50	=	77.4	nM	516.56	N=C(N)Nc1cccc(C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC(c2ccccc2)c2ccccc2)c1	Homo sapiens	CHEMBL4145047	cell-based format
CHEMBL4162220		IC50	=	81.9	nM	476.49	N=C(N)Nc1cccc(C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)Nc2cccc3ccccc23)c1	Homo sapiens	CHEMBL4145047	cell-based format
CHEMBL4100348		IC50	=	87.9	nM	418.45	O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O	Homo sapiens	CHEMBL4019947	cell-based format
CHEMBL4102803		IC50	=	136.4	nM	389.45	O=C(CC(c1ccccc1)c1ccccc1)N[C@H](Cc1ccc(O)cc1)C(=O)O	Homo sapiens	CHEMBL4019947	cell-based format
CHEMBL4074577		IC50	=	140.0	nM	373.45	O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O	Homo sapiens	CHEMBL4019947	cell-based format
CHEMBL3691722		IC50	=	150.2	nM	549.5	COc1ccc(CN)cc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O	Homo sapiens	CHEMBL3707531	single protein format