3D structures mapped by conservation among orthologs

[ Domain: "a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes" // Aminotran_4_N ]

 PyMOL session

[ Domain: "barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes" // Aminotran_4_C ]

 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
CHEMBL4551635		IC50	=	130.0	nM	446.81	Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c2ccccc2c1Cl	Homo sapiens	CHEMBL4885535	single protein format
CHEMBL5220178		IC50	=	162.0	nM	417.34	COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(C(F)(F)F)[nH]c1=O	Homo sapiens	CHEMBL5217582	single protein format
CHEMBL5219436		IC50	=	200.0	nM	504.92	Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)c3ccccc3)[nH]c2=O)c2ccccc2c1Cl	Homo sapiens	CHEMBL5217582	single protein format
CHEMBL5219349		IC50	=	270.0	nM	437.38	Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c2ccccc2c1C#N	Homo sapiens	CHEMBL5217582	single protein format