3D structures mapped by conservation among orthologs

[ Domain: "HLH, helix-loop-helix DNA-binding domain" // HLH_1 ]

 PyMOL session

[ 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
CHEMBL5089688		IC50	=	0.2	nM	495.63	Cc1nnn(C)c1-c1ccc2c3ncc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1	Homo sapiens	CHEMBL5029808	single protein format
CHEMBL5084636		IC50	=	0.6	nM	513.62	Cc1nnn(C)c1-c1ccc2c3ncc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1F	Homo sapiens	CHEMBL5029808	single protein format
CHEMBL4297458		IC50	=	0.7	nM	495.63	Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1	Homo sapiens	CHEMBL5029808	single protein format
CHEMBL5075294		IC50	=	0.7	nM	493.58	[2H]C([2H])([2H])c1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2[C@@H](CCC)c1ncccc1F	Homo sapiens	CHEMBL5029808	single protein format
CHEMBL5086429		IC50	=	0.8	nM	513.62	Cc1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2[C@H](c1ccccc1)C1CCOCC1	Homo sapiens	CHEMBL5029808	single protein format
CHEMBL5091333		IC50	=	1.0	nM	516.64	[2H]C([2H])([2H])c1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2[C@H](c1ccccc1)C1CCOCC1	Homo sapiens	CHEMBL5029808	single protein format
CHEMBL5084198		IC50	=	1.3	nM	535.61	[2H]C([2H])([2H])c1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2[C@H](c1ncccc1F)C1CCOCC1	Homo sapiens	CHEMBL5029808	single protein format
CHEMBL5090513		IC50	=	2.4	nM	521.61	[2H]C([2H])([2H])c1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2[C@H](c1cc(C)on1)C1CCOCC1	Homo sapiens	CHEMBL5029808	single protein format
CHEMBL5090808		IC50	=	3.4	nM	513.62	Cc1nnn(C)c1-c1cc(F)c2c3ncc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1	Homo sapiens	CHEMBL5029808	single protein format
CHEMBL5080039		IC50	=	6.9	nM	499.63	[2H]C([2H])([2H])c1nnn(C)c1-c1cc2c(cn1)c1ncc(C(C)(C)O)cc1n2[C@H](c1ccccc1)C1CCOCC1	Homo sapiens	CHEMBL5029808	single protein format
CHEMBL5069754		IC50	=	42.0	nM	533.09	[2H]C([2H])([2H])c1nnn(C)c1-c1cc2c(cc1Cl)c1ncc(C(C)(C)O)cc1n2[C@H](c1ccccc1)C1CCOCC1	Homo sapiens	CHEMBL5029808	single protein format
CHEMBL4587215		IC50	=	260.0	nM	427.51	CC(=O)c1ccc2nc(Sc3ccc(/C=C4\SC(=O)N(C(C)C)C4=O)o3)[nH]c2c1	Homo sapiens	CHEMBL4418809	cell-based format
CHEMBL4541510		IC50	=	291.0	nM	441.47	Cc1ccc(C)n1-c1cc(C(=O)N/N=C\c2ccc(S(=O)(=O)O)cc2)ccc1C(=O)O	Homo sapiens	CHEMBL4476912	single protein format
CHEMBL4534996		IC50	<=	300.0	nM	507.69	COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccc(C)nc4)ccc3s1)CCNC2	Homo sapiens	CHEMBL4476997	single protein format
CHEMBL4575529		IC50	<	300.0	nM	442.65	CC[C@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)C[C@H](C)N[C@@H]2C	Homo sapiens	CHEMBL4476997	single protein format
CHEMBL4544515		IC50	<	300.0	nM	531.75	CC[C@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccncc4)ccc3s1)CCN(C1CC1)C2	Homo sapiens	CHEMBL4476997	single protein format
CHEMBL4545620		IC50	<	300.0	nM	487.65	COCCNCCC(=O)Nc1sc2c(c1-c1nc3c(N4CC(O)C4)cccc3s1)CCNC2	Homo sapiens	CHEMBL4476997	single protein format
CHEMBL4560685		IC50	<	300.0	nM	484.57	COCCNCCC(=O)Nc1sc2c(c1-c1nc3c(C(F)(F)F)cccc3s1)CCNC2	Homo sapiens	CHEMBL4476997	single protein format
CHEMBL4549524		IC50	<	300.0	nM	415.59	CCC(C)NCCC(=O)[15NH]c1sc2c(c1-c1nc3ccccc3s1)CCNC2	Homo sapiens	CHEMBL4476997	single protein format
CHEMBL4567415		IC50	<	300.0	nM	487.65	COCCNCCC(=O)Nc1sc2c(c1-c1nc3c(NC4COC4)cccc3s1)CCNC2	Homo sapiens	CHEMBL4476997	single protein format