3D structures mapped by conservation among orthologs

[ Domain: "7-bladed" // ANAPC4_WD40_11 ]

 PyMOL session

[ Domain: "7-bladed" // ANAPC4_WD40_18 ]

 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
CHEMBL4116915		IC50	=	0.9	nM	572.71	CC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(C)C)CCCCNC(=O)[C@@H](c2ccccc2)NC1=O	Homo sapiens	CHEMBL5151843	single protein format
CHEMBL3798088		IC50	=	0.9	nM	586.74	CC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@](C)(NC(=O)C(C)C)CCCCNC(=O)[C@@H](c2ccccc2)NC1=O	Homo sapiens	CHEMBL3801645	cell-based format
CHEMBL4845887		IC50	=	6.5	nM	580.1	Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C4CCOCC4)cc3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL4832186	single protein format
CHEMBL5172154		IC50	=	7.4	nM	553.08	Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(C(=O)NCCCN)cc3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL5151843	single protein format
CHEMBL3884329		IC50	=	7.6	nM	553.08	Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)CCCN)cc3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL3875502	single protein format
CHEMBL3884726		IC50	=	8.5	nM	579.12	Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C4CCNCC4)cc3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL3875502	single protein format
CHEMBL4869658		IC50	=	8.9	nM	584.1	Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)NC4CCN(C)CC4)nn3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL4832186	single protein format
CHEMBL4851969		IC50	=	9.0	nM	570.07	Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)N4CCN(C)CC4)nn3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL4832186	single protein format
CHEMBL4852951		IC50	=	11.2	nM	557.03	Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)N4CCOCC4)nn3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL4832186	single protein format
CHEMBL3885099		IC50	=	15.0	nM	539.06	Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C(C)N)cc3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL3875502	single protein format
CHEMBL4863061		IC50	=	15.7	nM	571.06	Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)NC4CCOCC4)nn3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL4832186	single protein format
CHEMBL4852048		IC50	=	15.8	nM	593.15	Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C4CCN(C)CC4)cc3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL4832186	single protein format
CHEMBL3884291		IC50	=	18.2	nM	453.95	Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccncc3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL3875502	single protein format
CHEMBL3957478		IC50	=	26.4	nM	496.97	Cc1c(F)c(N)cc(C(=O)Nc2cc(C(=O)Oc3ccccc3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL3859786	single protein format
CHEMBL5198658		IC50	=	26.4	nM	511.0	Cc1c(F)c(N)cc(C(=O)N(C)c2cc(C(=O)Oc3ccccc3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL5151843	single protein format
CHEMBL5094242		IC50	=	29.0	nM	483.98	CN1CCN(c2cc(F)c(-c3ccc(C(=O)N(C)C)cc3)cc2Nc2ncnc(Cl)c2N)CC1	Homo sapiens	CHEMBL5151843	single protein format
CHEMBL3884527		IC50	=	30.1	nM	553.08	Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C(C)(C)N)cc3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL3875502	single protein format
CHEMBL4850959		IC50	=	33.9	nM	514.99	Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)N(C)C)nn3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL4832186	single protein format
CHEMBL3907289		IC50	=	46.5	nM	434.9	COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1	Homo sapiens	CHEMBL3859786	single protein format
CHEMBL3884136		IC50	=	47.9	nM	452.96	Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccccc3)ccc2N2CCN(C)CC2)c1Cl	Homo sapiens	CHEMBL3875502	single protein format