3D structures mapped by conservation among orthologs

[ Domain: "SET domain-like" // SET ]

 PyMOL session

[ Domain: "WW domain" // WW ]

 PyMOL session

[ Domain: "Sigma2 domain of RNA polymerase sigma factors" // SRI ]

 PyMOL session

[ Domain: "Zn3Cys9 preSET domain-related" // AWS ]

 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
CHEMBL5078908		IC50	=	3.0	nM	412.48	Cc1ccc(F)c2cc(C(=O)Nc3cc(F)cc(N4CCC(N(C)C)CC4)c3)[nH]c12	Homo sapiens	CHEMBL5040787	single protein format
CHEMBL5073608		IC50	=	7.0	nM	426.47	CC(=O)N(C)C1CCN(c2cc(F)cc(NC(=O)c3cc4c(F)ccc(C)c4[nH]3)c2)C1	Homo sapiens	CHEMBL5040787	single protein format
CHEMBL5091591		IC50	=	8.0	nM	450.58	Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](N4CC[C@H](N(C)S(C)(=O)=O)C4)C3)[nH]c12	Homo sapiens	CHEMBL5040787	single protein format
CHEMBL5093241		IC50	=	8.0	nM	428.94	Cc1ccc(F)c2cc(C(=O)Nc3cc(Cl)cc(N4CCC(N(C)C)CC4)c3)[nH]c12	Homo sapiens	CHEMBL5040787	single protein format
CHEMBL5178972		IC50	=	9.0	nM	426.54	CC(=O)N1CC[C@H]2[C@@H]1CCN2[C@H]1CCC[C@@H](NC(=O)c2cc3c(F)ccc(C)c3[nH]2)C1	Homo sapiens	CHEMBL5125545	single protein format
CHEMBL5206271		IC50	=	11.0	nM	426.54	CC(=O)N1CC[C@H]2CN([C@H]3CCC[C@@H](NC(=O)c4cc5c(F)ccc(C)c5[nH]4)C3)C[C@H]21	Homo sapiens	CHEMBL5125545	single protein format
CHEMBL5094380		IC50	=	12.0	nM	408.48	CC(=O)N(C)C1CCN(c2cccc(NC(=O)c3cc4c(F)ccc(C)c4[nH]3)c2)C1	Homo sapiens	CHEMBL5040787	single protein format
CHEMBL5082544		IC50	=	12.0	nM	480.65	CC.Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](N4CC[C@@H](N(C)S(C)(=O)=O)C4)C3)[nH]c12	Homo sapiens	CHEMBL5040787	single protein format
CHEMBL5082960		IC50	=	12.0	nM	351.43	Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](c4ccncc4)C3)[nH]c12	Homo sapiens	CHEMBL5040787	single protein format
CHEMBL5189290		IC50	=	12.0	nM	412.44	CC(=O)N1CCN(c2cc(F)cc(NC(=O)c3cc4c(F)ccc(C)c4[nH]3)c2)CC1	Homo sapiens	CHEMBL5125545	single protein format
CHEMBL5195440		IC50	=	15.0	nM	412.51	Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](N4CCN5C(=O)CC[C@H]5C4)C3)[nH]c12	Homo sapiens	CHEMBL5125545	single protein format
CHEMBL5071957		IC50	=	15.0	nM	414.53	CC(=O)N(C)[C@@H]1CCN([C@H]2CCC[C@@H](NC(=O)c3cc4c(F)ccc(C)c4[nH]3)C2)C1	Homo sapiens	CHEMBL5040787	single protein format
CHEMBL5072597		IC50	=	17.0	nM	408.52	Cc1cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)cc(N2CCC(N(C)C)CC2)c1	Homo sapiens	CHEMBL5040787	single protein format
CHEMBL5076615		IC50	=	18.0	nM	394.49	Cc1ccc(F)c2cc(C(=O)Nc3cccc(N4CCC(N(C)C)CC4)c3)[nH]c12	Homo sapiens	CHEMBL5040787	single protein format
CHEMBL5095235		IC50	=	18.0	nM	400.5	CC(=O)N1CCN([C@H]2CCC[C@@H](NC(=O)c3cc4c(F)ccc(C)c4[nH]3)C2)CC1	Homo sapiens	CHEMBL5125545	single protein format
CHEMBL5088515		IC50	=	23.0	nM	414.53	CC(=O)N(C)[C@H]1CCN([C@H]2CCC[C@@H](NC(=O)c3cc4c(F)ccc(C)c4[nH]3)C2)C1	Homo sapiens	CHEMBL5040787	single protein format
CHEMBL5184871		IC50	=	27.0	nM	394.45	CC(=O)N1CCN(c2cccc(NC(=O)c3cc4c(F)ccc(C)c4[nH]3)c2)CC1	Homo sapiens	CHEMBL5125545	single protein format
CHEMBL5077994		IC50	=	56.0	nM	436.55	Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](N4CCN(S(C)(=O)=O)CC4)C3)[nH]c12	Homo sapiens	CHEMBL5040787	single protein format
CHEMBL5091735		IC50	=	66.0	nM	366.44	Cc1ccc(F)c2cc(C(=O)Nc3cccc(N4CCN(C)CC4)c3)[nH]c12	Homo sapiens	CHEMBL5040787	single protein format
CHEMBL5071333		IC50	=	101.0	nM	353.4	Cc1ccc(F)c2cc(C(=O)Nc3cccc(N4CCOCC4)c3)[nH]c12	Homo sapiens	CHEMBL5040787	single protein format