3D structures mapped by conservation among orthologs

[ Domain: "C-terminal domain in some PLP-dependent transferases" // AGAT_like ]

 PyMOL session

[ Domain: "PLP-dependent transferases" // Aminotran_5_N ]

 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
CHEMBL5170947		IC50	=	40.0	nM	209.68	Cl.NCOc1ccc2ccccc2c1	Homo sapiens	CHEMBL5149479	assay format
CHEMBL3764023		IC50	=	60.0	nM	194.06	Cl.NOCc1ccc(Cl)cc1	Homo sapiens	CHEMBL5149479	assay format
CHEMBL3763469		IC50	=	120.0	nM	238.51	Cl.NOCc1cccc(Br)c1	Homo sapiens	CHEMBL5149479	assay format
CHEMBL3764351		IC50	=	160.0	nM	189.64	COc1ccc(CON)cc1.Cl	Homo sapiens	CHEMBL5149479	assay format
CHEMBL5179589		IC50	=	160.0	nM	173.64	Cc1ccc(CON)cc1.Cl	Homo sapiens	CHEMBL5149479	assay format
CHEMBL3763498		IC50	=	200.0	nM	235.71	Cl.NOCc1ccc(-c2ccccc2)cc1	Homo sapiens	CHEMBL5149479	assay format
CHEMBL5207596		IC50	=	230.0	nM	199.25	NOCc1cccc(-c2ccccc2)c1	Homo sapiens	CHEMBL5149479	assay format
CHEMBL5207995		IC50	=	230.0	nM	163.18	NOCc1cc2ccccc2o1	Homo sapiens	CHEMBL5149479	assay format
CHEMBL5183689		IC50	=	280.0	nM	217.24	NOCc1cccc(-c2ccc(F)cc2)c1	Homo sapiens	CHEMBL5149479	assay format
CHEMBL3765396		IC50	=	300.0	nM	177.61	Cl.NOCc1ccc(F)cc1	Homo sapiens	CHEMBL5149479	assay format
CHEMBL3765186		IC50	=	300.0	nM	195.6	Cl.NOCc1ccc(F)cc1F	Homo sapiens	CHEMBL5149479	assay format
CHEMBL5181500		IC50	=	350.0	nM	179.24	NOCc1cc2ccccc2s1	Homo sapiens	CHEMBL5149479	assay format
CHEMBL5199538		IC50	=	550.0	nM	267.25	NOCc1cccc(-c2ccc(C(F)(F)F)cc2)c1	Homo sapiens	CHEMBL5149479	assay format
CHEMBL5195123		IC50	=	620.0	nM	182.22	COc1c(C)cnc(CON)c1C	Homo sapiens	CHEMBL5149479	assay format
CHEMBL3765807		IC50	=	700.0	nM	194.06	Cl.NOCc1cccc(Cl)c1	Homo sapiens	CHEMBL5149479	assay format
CHEMBL5189330		IC50	=	850.0	nM	208.26	NOCc1cccc(N2CCOCC2)c1	Homo sapiens	CHEMBL5149479	assay format
CHEMBL5170947		Ki	=	2.0	nM	209.68	Cl.NCOc1ccc2ccccc2c1	Homo sapiens	CHEMBL5149481	assay format
CHEMBL5207596		Ki	=	27.0	nM	199.25	NOCc1cccc(-c2ccccc2)c1	Homo sapiens	CHEMBL5149481	assay format
CHEMBL3764222		Ki	=	40.0	nM	189.64	COc1cccc(CON)c1.Cl	Homo sapiens	CHEMBL5149481	assay format
CHEMBL3763469		Ki	=	50.0	nM	238.51	Cl.NOCc1cccc(Br)c1	Homo sapiens	CHEMBL5149481	assay format