3D structures mapped by conservation among orthologs

[ Domain: "Prealbumin-like" // VHL ]

 PyMOL session

[ Domain: "SOCS box-like" // VHL_C ]

 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
CHEMBL4449823		IC50	=	26.8	nM	553.69	CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](c1cc(C)no1)C(C)C)c1ccc(-c2scnc2C)cc1	Homo sapiens	CHEMBL5264646	single protein format
CHEMBL5277721		IC50	=	28.6	nM	594.74	CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(C#N)CC1)C(C)(C)C)c1ccc(-c2scnc2C)cc1	Homo sapiens	CHEMBL5264646	single protein format
CHEMBL5274336		IC50	=	78.0	nM	587.72	CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)C1(F)CC1)C(C)(C)C)c1ccc(-c2scnc2C)cc1	Homo sapiens	CHEMBL5264646	single protein format
CHEMBL4225537		IC50	=	88.0	nM	523.66	Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)cc1	Homo sapiens	CHEMBL4620018	single protein format
CHEMBL5285978		IC50	=	130.0	nM	543.69	CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(C)=O)C(C)(C)C)c1ccc(-c2scnc2C)cc1	Homo sapiens	CHEMBL5264646	single protein format
CHEMBL5421220		IC50	=	164.0	nM	544.69	Cc1cc(-c2scnc2C)ccc1[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C	Homo sapiens	CHEMBL5368623	cell-based format
CHEMBL4565531		IC50	=	164.0	nM	486.64	CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C	Homo sapiens	CHEMBL5264646	single protein format
CHEMBL5269644		IC50	=	179.0	nM	587.72	CNC(=O)C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C)c1ccc(-c2scnc2C)cc1	Homo sapiens	CHEMBL5264646	single protein format
CHEMBL3683782		IC50	=	180.0	nM	277.29	Cc1ccnc(-n2[nH]cc(-c3ccc(C#N)nc3)c2=O)c1	Homo sapiens	CHEMBL3705901	single protein format
CHEMBL3344081		IC50	=	185.0	nM	472.61	CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C	Homo sapiens	CHEMBL4620018	single protein format
CHEMBL5283593		IC50	=	190.0	nM	587.72	CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C)c1ccc(-c2scnc2C)cc1	Homo sapiens	CHEMBL5264646	single protein format
CHEMBL5425778		IC50	=	320.0	nM	578.68	COc1cc(-c2scnc2C)c(F)cc1[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C	Homo sapiens	CHEMBL5368623	cell-based format
CHEMBL5403921		IC50	=	366.0	nM	562.68	Cc1cc(-c2scnc2C)c(F)cc1[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C	Homo sapiens	CHEMBL5368623	cell-based format
CHEMBL3683779		IC50	=	430.0	nM	238.25	O=c1c(-c2cccnc2)c[nH]n1-c1ccccn1	Homo sapiens	CHEMBL3705901	single protein format
CHEMBL3683785		IC50	=	700.0	nM	385.43	O=C(Cc1ccccc1)NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1	Homo sapiens	CHEMBL3705901	single protein format
CHEMBL3683781		IC50	=	760.0	nM	252.28	Cc1ncccc1-c1c[nH]n(-c2ccccn2)c1=O	Homo sapiens	CHEMBL3705901	single protein format
CHEMBL3683780		IC50	=	860.0	nM	268.28	O=c1c(-c2cccnc2)c[nH]n1-c1ccc(CO)cn1	Homo sapiens	CHEMBL3705901	single protein format
CHEMBL3260851		IC50	=	900.0	nM	450.56	Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(N)c2C)cc1	Homo sapiens	CHEMBL4396993	single protein format
CHEMBL3260851		Ki	=	670.0	nM	450.56	Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(N)c2C)cc1	Homo sapiens	CHEMBL5371515	single protein format