3D structures mapped by conservation among orthologs

[ Domain: "Cytidine deaminase-like" // dCMP_cyt_deam_1 ]

 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
CHEMBL3658871		IC50	=	101.0	nM	244.25	O=C1NCC=CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL3706053	single protein format
CHEMBL3658873		IC50	=	140.0	nM	246.24	O=C1NCC=CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F	Homo sapiens	CHEMBL3706053	single protein format
CHEMBL3237548		IC50	=	200.0	nM	250.23	O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F	Homo sapiens	CHEMBL3241962	single protein format
CHEMBL3665107		IC50	=	200.0	nM	250.23	O=C1N[C@H](O)CCN1C1O[C@H](CO)[C@@H](O)[C@@H]1F	Homo sapiens	CHEMBL3705845	single protein format
CHEMBL3658870		IC50	=	237.0	nM	264.23	O=C1NCC=CCN1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F	Homo sapiens	CHEMBL3706053	single protein format
CHEMBL2311128		IC50	=	340.0	nM	248.24	O=C1NC(O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL3241962	single protein format
CHEMBL3237547		IC50	=	400.0	nM	268.22	O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F	Homo sapiens	CHEMBL3241962	single protein format
CHEMBL3237549		IC50	=	400.0	nM	250.23	O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F	Homo sapiens	CHEMBL3241962	single protein format
CHEMBL3665106		IC50	=	400.0	nM	268.22	O=C1N[C@H](O)CCN1C1O[C@H](CO)[C@@H](O)C1(F)F	Homo sapiens	CHEMBL3705845	single protein format
CHEMBL3665108		IC50	=	400.0	nM	268.22	O=C1NC(O)CCN1C1O[C@H](CO)[C@@H](O)C1(F)F	Homo sapiens	CHEMBL3705845	single protein format
CHEMBL3665114		IC50	=	400.0	nM	250.23	O=C1N[C@H](O)CCN1C1O[C@H](CO)[C@@H](O)[C@H]1F	Homo sapiens	CHEMBL3705845	single protein format
CHEMBL100259		Ki	=	0.0012	nM	244.2	O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	Homo sapiens	CHEMBL665308	single protein format
CHEMBL610997		Ki	=	25.0	nM	244.25	O=C1NCC=CCN1C1O[C@H](CO)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL872484	assay format
CHEMBL2311128		Ki	=	100.0	nM	248.24	O=C1NC(O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL665297	tissue-based format
CHEMBL2367576		Ki	=	400.0	nM	246.26	O=C1NCCCCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL665297	tissue-based format
CHEMBL2311129		Ki	=	900.0	nM	262.26	O=C1NCC(O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL665297	tissue-based format