3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // RHD_dimer ]

 PyMOL session

[ Domain: "Common fold of diphtheria toxin/transcription factors/cytochrome f" // RHD_DNA_bind ]

 PyMOL session

[ Domain: "DEATH domain" // Death ]

 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
CHEMBL336546		IC50	=	50.0	nM	437.65	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F	Homo sapiens	CHEMBL752719	cell-based format
CHEMBL438139		IC50	=	75.0	nM	505.57	COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)cc1	Homo sapiens	CHEMBL1109181	cell-based format
CHEMBL131636		IC50	=	170.0	nM	469.77	CCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(C(F)(F)F)c1	Homo sapiens	CHEMBL752719	cell-based format
CHEMBL134490		IC50	=	280.0	nM	441.72	CCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(C(F)(F)F)c1	Homo sapiens	CHEMBL752719	cell-based format
CHEMBL135133		IC50	=	380.0	nM	369.65	O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cl)nc1C(F)(F)F	Homo sapiens	CHEMBL752719	cell-based format
CHEMBL334485		IC50	=	500.0	nM	370.55	O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(Cl)nc1C(F)(F)F	Homo sapiens	CHEMBL752719	cell-based format
CHEMBL423153		IC50	=	620.0	nM	497.82	CCCCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(C(F)(F)F)c1	Homo sapiens	CHEMBL752719	cell-based format
CHEMBL336099		IC50	=	800.0	nM	372.52	O=C(Nc1cc(Cl)nc(Cl)n1)c1cnc(Cl)nc1C(F)(F)F	Homo sapiens	CHEMBL752719	cell-based format
CHEMBL134603		IC50	=	900.0	nM	404.99	O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cnc(Cl)nc1C(F)(F)F	Homo sapiens	CHEMBL752719	cell-based format