3D structures mapped by conservation among orthologs

[ 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
CHEMBL169046		IC50	=	300.0	nM	402.66	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	Homo sapiens	CHEMBL1827133	cell-based format
CHEMBL1824673		IC50	=	700.0	nM	373.5	CCCc1cc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)ccn1	Homo sapiens	CHEMBL1827133	cell-based format
CHEMBL1824674		IC50	=	900.0	nM	441.6	CCCc1cc(-c2nc(-c3ccc(NS(=O)(=O)c4cccs4)cc3)cs2)ccn1	Homo sapiens	CHEMBL1827133	cell-based format