3D structures mapped by conservation among orthologs

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

 PyMOL session

[ Domain: "sensor domains" // PAS_1 ]

 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
CHEMBL5281742		IC50	=	0.885	nM	418.38	C[C@@H](CO)NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2cccnc2)n1	Homo sapiens	CHEMBL5250030	single protein format
CHEMBL4536502		IC50	=	2.6	nM	304.74	O=c1c2cccc3cccc(c32)c2nc3ccc(Cl)cc3n12	Homo sapiens	CHEMBL4324440	single protein format
CHEMBL373251		IC50	=	25.0	nM	289.33	COc1ccc(-c2nc3cc(F)ccc3s2)cc1OC	Homo sapiens	CHEMBL5231427	single protein format
CHEMBL150		IC50	=	28.0	nM	286.24	O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12	Homo sapiens	CHEMBL926264	single protein format
CHEMBL1743245		IC50	=	30.0	nM	333.4	Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccnn2C)c(C)c1	Homo sapiens	CHEMBL5250027	single protein format
CHEMBL5266911		IC50	=	39.9	nM	401.83	CC(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccc(F)c2)c1=O	Homo sapiens	CHEMBL5250025	cell-based format
CHEMBL5271453		IC50	=	82.2	nM	488.34	O=C(NCC(O)C(F)(F)F)c1cc(-c2ccc(OC(F)(F)F)cc2)nn(-c2cccnc2)c1=O	Homo sapiens	CHEMBL5250030	single protein format
CHEMBL4303221		IC50	=	127.0	nM	429.55	CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(-c3csc4ccccc34)nc21	Homo sapiens	CHEMBL5250035	cell-based format
CHEMBL5280174		IC50	<	500.0	nM	550.9	CC(C)c1cnn2c(N[C@@H]3CCc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12.Cl.Cl.Cl	Homo sapiens	CHEMBL5250030	single protein format
CHEMBL179510		Ki	=	0.2	nM	317.14	FC(F)(F)c1ccc(/C=C/c2cc(Cl)cc(Cl)c2)cc1	Homo sapiens	CHEMBL5250024	single protein format
CHEMBL5198290		Ki	=	88.0	nM	285.33	CNC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1	Homo sapiens	CHEMBL5250024	single protein format