3D structures mapped by conservation among orthologs

[ Domain: "HLH, helix-loop-helix DNA-binding domain" // HLH ]

 PyMOL session

[ Domain: "HLH, helix-loop-helix DNA-binding domain" // HLH ]

 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
CHEMBL1824673		IC50	=	700.0	nM	373.5	CCCc1cc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)ccn1	Homo sapiens	CHEMBL4824182	cell-based format
CHEMBL4851466		IC50	=	722.7	nM	472.62	C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3nnnc3-c3ccccc3)CCC[C@]12C	Homo sapiens	CHEMBL4824182	cell-based format