3D structures mapped by conservation among orthologs

[ Domain: "Nicotinate/Quinolinate PRTase N-terminal domain-like" // PRK09198 ]

 PyMOL session

[ Domain: "Nicotinate/Quinolinate PRTase N-terminal domain-like" // PRK09198,NAPRTase ]

 PyMOL session

[ Domain: "TIM barrels" // NAPRTase ]

 PyMOL session

[ Domain: "Nicotinate/Quinolinate PRTase C-terminal domain-like" // EUF08675,NAPRTase ]

 PyMOL session

[ Domain: "Nicotinate phosphoribosyltransferase C-terminal domain-related" // EUF08675 ]

 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
CHEMBL3753643		IC50	=	0.0509	nM	437.55	O=C(/C=C/c1cccnc1)NCCCCCc1cn(-c2ccccc2-c2ccccc2)nn1	Homo sapiens	CHEMBL3755460	cell-based format
CHEMBL5429026		IC50	=	0.15	nM	531.53	O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2cccc(N(CCCl)CCCl)c2)CC1	Homo sapiens	CHEMBL5358039	single protein format
CHEMBL5437893		IC50	=	0.16	nM	531.53	O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2N(CCCl)CCCl)CC1	Homo sapiens	CHEMBL5358039	single protein format
CHEMBL3260316		IC50	=	0.174	nM	455.58	CC(C)CCN(C(=O)COc1ccccc1)c1ncc(C(=O)NCCCn2ccnc2)s1	Homo sapiens	CHEMBL3270963	single protein format
CHEMBL3094250		IC50	=	0.2	nM	499.66	N#C/N=C(\NCCCCCCC(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1	Homo sapiens	CHEMBL3096860	cell-based format
CHEMBL3094255		IC50	=	0.3	nM	535.72	N#C/N=C(\NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1	Homo sapiens	CHEMBL3096860	cell-based format
CHEMBL123756		IC50	=	0.31	nM	584.12	C#CCN(Cc1cc2c(=O)n(C)c(CN3CCN(C)CC3)nc2cc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1	Homo sapiens	CHEMBL1805766	single protein format
CHEMBL3260317		IC50	=	0.412	nM	393.51	COCC(=O)N(CCC(C)C)c1ncc(C(=O)NCCCn2ccnc2)s1	Homo sapiens	CHEMBL3270963	single protein format
CHEMBL1801864		IC50	=	0.45	nM	503.01	CC(C)=CCN(Cc1cc2c(=O)n(C)nnc2cc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1	Homo sapiens	CHEMBL1805766	single protein format
CHEMBL3260314		IC50	=	0.461	nM	483.61	O=C(NCCCn1ccnc1)c1cnc(N(Cc2ccc(F)cc2)C(=O)CC2CCCCC2)s1	Homo sapiens	CHEMBL3270963	single protein format
CHEMBL1801934		IC50	=	0.55	nM	485.98	C#CCN(Cc1cc2c(=O)n(C)c(C)nc2cc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1	Homo sapiens	CHEMBL1805766	single protein format
CHEMBL3098518		IC50	=	0.6	nM	427.44	N#C/N=C(\NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)Nc1ccncc1	Homo sapiens	CHEMBL3100993	single protein format
CHEMBL3260315		IC50	=	0.632	nM	482.59	O=C(NCCCn1ccnc1)c1cnc(N(Cc2ccc(F)cc2)C(=O)CN2CC=CCC2)s1	Homo sapiens	CHEMBL3270963	single protein format
CHEMBL1801862		IC50	=	0.79	nM	501.97	C#CCN(Cc1cc2c(=O)n(C)c(CO)nc2cc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1	Homo sapiens	CHEMBL1805766	single protein format
CHEMBL3900725		IC50	=	0.86	nM	418.54	O=C(CC1CC1)N[C@H]1CC[C@@H](c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1	Homo sapiens	CHEMBL3888191	single protein format
CHEMBL3914799		IC50	=	0.916	nM	492.56	CN1CCN(c2ccc(S(=O)(=O)c3ccc(CNC(=O)c4cc5ccncc5o4)nc3)cn2)CC1	Homo sapiens	CHEMBL3889188	single protein format
CHEMBL3919342		IC50	=	0.946	nM	430.55	N#Cc1ccc2c(c1)CN(C(=O)NCCCCC1CCN(C(=O)c3ccccc3)CC1)C2	Homo sapiens	CHEMBL3888190	single protein format
CHEMBL3900838		IC50	=	0.973	nM	406.53	CC(C)C(=O)N[C@H]1CC[C@@H](c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1	Homo sapiens	CHEMBL3888191	single protein format
CHEMBL3951542		IC50	=	0.99	nM	453.48	COc1cc(OC)cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)c1	Homo sapiens	CHEMBL3889188	single protein format
CHEMBL2420633		IC50	=	1.0	nM	460.44	O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cnc2nccn2c1	Homo sapiens	CHEMBL2423680	assay format