3D structures mapped by conservation among orthologs

[ Domain: "S-adenosylmethionine decarboxylase" // SAM_decarbox ]

 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
CHEMBL517131		IC50	=	5.0	nM	479.52	Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1O.O=S(=O)(O)O	Homo sapiens	CHEMBL941183	single protein format
CHEMBL510356		IC50	=	7.0	nM	451.46	Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCON)[C@@H](O)[C@H]1O.O=S(=O)(O)O	Homo sapiens	CHEMBL941183	single protein format
CHEMBL461970		IC50	=	11.0	nM	481.49	CN(CCCCON)C[C@H]1O[C@@H](n2c(O)nc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=S(=O)(O)O	Homo sapiens	CHEMBL941183	single protein format
CHEMBL461779		IC50	=	15.0	nM	493.54	CCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1O.O=S(=O)(O)O	Homo sapiens	CHEMBL941183	single protein format
CHEMBL516811		IC50	=	18.0	nM	465.49	CN(CCCCON)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=S(=O)(O)O	Homo sapiens	CHEMBL941183	single protein format
CHEMBL460719		IC50	=	49.0	nM	494.53	CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1O.O=S(=O)(O)O	Homo sapiens	CHEMBL941183	single protein format
CHEMBL461780		IC50	=	55.0	nM	339.36	CN(CCON)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	Homo sapiens	CHEMBL941183	single protein format
CHEMBL453372		IC50	=	86.0	nM	466.48	CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCON)[C@@H](O)[C@H]1O.O=S(=O)(O)O	Homo sapiens	CHEMBL941183	single protein format
CHEMBL517593		IC50	=	170.0	nM	380.41	Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCC(=O)NN)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL941183	single protein format
CHEMBL462656		IC50	=	400.0	nM	365.39	Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCC(N)=O)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL941183	single protein format
CHEMBL516214		IC50	=	600.0	nM	308.34	Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)C)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL941183	single protein format