3D structures mapped by conservation among orthologs

[ Domain: "P-loop containing nucleoside triphosphate hydrolases" // Ras ]

 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
CHEMBL351706		IC50	=	1.3	nM	489.63	N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1	Homo sapiens	CHEMBL5150179	single protein format
CHEMBL66699		IC50	=	1.9	nM	432.95	O=C(Cc1ccncc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1	Homo sapiens	CHEMBL5332035	single protein format
CHEMBL5171806		IC50	=	100.0	nM	460.67	COC(=O)[C@H](CCSC)CC(=O)c1cc(CNC[C@@H](N)CS)ccc1-c1ccccc1	Homo sapiens	CHEMBL5150168	assay format
CHEMBL11252		IC50	=	200.0	nM	481.52	Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N	Homo sapiens	CHEMBL694129	single protein format
CHEMBL279433		Ki	=	1.6	nM	405.89	N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1	Homo sapiens	CHEMBL5150156	single protein format