3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // I-set_2 ]

 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
CHEMBL2312654		IC50	=	0.7	nM	461.4	Cc1cc(-c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCC(N(C)C)CC2)on1	Homo sapiens	CHEMBL2318063	single protein format
CHEMBL4873571		IC50	=	1.0	nM	561.55	CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O	Homo sapiens	CHEMBL4823597	single protein format
CHEMBL2312649		IC50	=	2.0	nM	520.51	CN1CCC(NC(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCC(N(C)C)CC2)CC1	Homo sapiens	CHEMBL2318063	single protein format
CHEMBL2036806		IC50	=	2.9	nM	462.65	CCCCNc1ncc2c(-c3ccc(N4CCNCC4)cc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1	Homo sapiens	CHEMBL2037932	single protein format
CHEMBL2311550		IC50	=	3.0	nM	467.4	CC[C@@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1	Homo sapiens	CHEMBL2318063	single protein format
CHEMBL4283353		IC50	=	3.1	nM	504.72	CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1	Homo sapiens	CHEMBL4276359	assay format
CHEMBL4286701		IC50	=	3.4	nM	487.69	CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4C5CCC4CC5)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1	Homo sapiens	CHEMBL4276334	single protein format
CHEMBL4280761		IC50	=	4.3	nM	504.72	CCCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1	Homo sapiens	CHEMBL4276334	single protein format
CHEMBL460702		IC50	=	4.3	nM	512.9	CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1	Homo sapiens	CHEMBL957101	single protein format
CHEMBL4753082		IC50	=	4.3	nM	498.87	COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1	Homo sapiens	CHEMBL4686592	single protein format
CHEMBL4277564		IC50	=	4.4	nM	506.74	CCC[C@H](C)Nc1ncc2c(-c3ccc(CNCCN(CC)CC)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1	Homo sapiens	CHEMBL4276334	single protein format
CHEMBL2036807		IC50	=	5.9	nM	524.72	N[C@H]1CC[C@H](Cn2nc(-c3ccc(N4CCNCC4)cc3)c3cnc(NCCCc4ccccc4)nc32)CC1	Homo sapiens	CHEMBL2037932	single protein format
CHEMBL2312651		IC50	=	6.0	nM	506.44	CN1CCC(NC(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2N[C@H]2CCCCNC2=O)CC1	Homo sapiens	CHEMBL2318063	single protein format
CHEMBL4279154		IC50	=	6.7	nM	504.72	CCC(CC)CNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1	Homo sapiens	CHEMBL4276334	single protein format
CHEMBL4282624		IC50	=	6.7	nM	490.7	CCCC(C)Nc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1	Homo sapiens	CHEMBL4276334	single protein format
CHEMBL4288009		IC50	=	6.9	nM	518.75	CCCCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1	Homo sapiens	CHEMBL4276334	single protein format
CHEMBL3964573		IC50	=	7.5	nM	560.79	CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCCNC(=O)[C@@H](N)CCCC4)cc2)CC1	Homo sapiens	CHEMBL3865274	single protein format
CHEMBL3808844		IC50	=	8.0	nM	560.56	CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1	Homo sapiens	CHEMBL5210334	single protein format
CHEMBL2312650		IC50	=	9.0	nM	479.41	CN1CCC(NC(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCOCC2)CC1	Homo sapiens	CHEMBL2318063	single protein format
CHEMBL4289301		IC50	=	9.0	nM	463.63	CCC[C@H](C)Nc1ncc2c(-c3ccnc(N4CCNCC4)c3)cn([C@H]3CC[C@H](O)CC3)c2n1	Homo sapiens	CHEMBL4276334	single protein format