3D structures mapped by conservation among orthologs

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

 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
CHEMBL3940890		IC50	=	160.0	nM	292.31	Cc1n[nH]c(C)c1CCCOc1cc(C(=O)O)ccc1F	Homo sapiens	CHEMBL5033188	cell-free format
CHEMBL5089170		IC50	=	190.0	nM	426.26	Cc1n[nH]c(C)c1N1CCN(c2cc(C(=O)O)ccc2I)CC1	Homo sapiens	CHEMBL5033188	cell-free format
CHEMBL5091368		IC50	=	200.0	nM	334.81	Cc1n[nH]c(C)c1N1CCN(c2cc(C(=O)O)ccc2Cl)CC1	Homo sapiens	CHEMBL5033188	cell-free format
CHEMBL5090952		IC50	=	210.0	nM	314.39	Cc1ccc(C(=O)O)cc1N1CCN(c2c(C)n[nH]c2C)CC1	Homo sapiens	CHEMBL5033188	cell-free format
CHEMBL5080175		IC50	=	220.0	nM	318.35	Cc1n[nH]c(C)c1N1CCN(c2cc(C(=O)O)ccc2F)CC1	Homo sapiens	CHEMBL5033188	cell-free format
CHEMBL5093498		IC50	=	260.0	nM	342.38	Cc1n[nH]c(C)c1N1CCN(c2cc(-c3nn[nH]n3)ccc2F)CC1	Homo sapiens	CHEMBL5033188	cell-free format
CHEMBL5080942		IC50	=	260.0	nM	368.36	Cc1n[nH]c(C)c1N1CCN(c2cc(C(=O)O)ccc2C(F)(F)F)CC1	Homo sapiens	CHEMBL5033188	cell-free format
CHEMBL3695459		IC50	=	277.0	nM	318.28	COc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1O	Homo sapiens	CHEMBL3705442	single protein format
CHEMBL63323		IC50	=	289.0	nM	282.22	O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1	Homo sapiens	CHEMBL3705442	single protein format
CHEMBL3695460		IC50	=	296.0	nM	248.3	Cc1n[nH]c(C)c1CCCOc1ccccc1F	Homo sapiens	CHEMBL3705442	single protein format
CHEMBL5082796		IC50	=	300.0	nM	344.37	Cc1n[nH]c(C)c1N1CCN(c2cc(C(=O)O)ccc2C(=O)O)CC1	Homo sapiens	CHEMBL5033188	cell-free format
CHEMBL591504		IC50	=	301.0	nM	393.06	COc1c(Br)cc(/C=C2\SC(=O)NC2=O)cc1Br	Homo sapiens	CHEMBL3705442	single protein format
CHEMBL1581319		IC50	=	329.1	nM	267.29	CCOc1ccccc1-c1nc(-c2ccncc2)no1	Homo sapiens	CHEMBL3705442	single protein format
CHEMBL2103837		IC50	=	410.0	nM	308.12	O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1	Homo sapiens	CHEMBL5033188	cell-free format
CHEMBL1835582		IC50	=	433.0	nM	290.41	CC1(C)NC(=O)C(C#N)=C(SCc2ccccc2)S1	Homo sapiens	CHEMBL3705442	single protein format
CHEMBL5431059		IC50	=	450.0	nM	494.16	Cc1n[nH]c(C)c1/C=C/c1cc(Br)c(OC(=O)c2ccc(F)cc2)c(Br)c1	Homo sapiens	CHEMBL5382207	cell-free format
CHEMBL5419683		IC50	=	470.0	nM	530.14	Cc1n[nH]c(C)c1/C=C/c1cc(Br)c(OC(=O)c2c(F)cc(F)cc2F)c(Br)c1	Homo sapiens	CHEMBL5382207	cell-free format
CHEMBL3695461		IC50	=	504.0	nM	277.71	Cc1ccc(O)c(Nc2ccccc2C(=O)O)c1Cl	Homo sapiens	CHEMBL3705442	single protein format
CHEMBL5091475		IC50	=	550.0	nM	318.35	Cc1n[nH]c(C)c1N1CCN(c2cccc(C(=O)O)c2F)CC1	Homo sapiens	CHEMBL5033188	cell-free format
CHEMBL5435440		IC50	=	570.0	nM	512.15	Cc1n[nH]c(C)c1/C=C/c1cc(Br)c(OC(=O)c2c(F)cccc2F)c(Br)c1	Homo sapiens	CHEMBL5382207	cell-free format