3D structures mapped by conservation among orthologs

[ Domain: "NTF2-like" // DUF4440 ]

 PyMOL session

[ Domain: "NTF2-like" // SnoaL_3 ]

 PyMOL session

[ Domain: "Protein kinase" // Pkinase_Tyr ]

 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
CHEMBL388978		IC50	=	0.0635	nM	466.54	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	Homo sapiens	CHEMBL4328333	single protein format
CHEMBL573578		IC50	=	8.0	nM	331.42	CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21	Homo sapiens	CHEMBL1250110	assay format
CHEMBL1231206		IC50	=	70.0	nM	374.47	Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1	Homo sapiens	CHEMBL5467048	single protein format
CHEMBL264406		IC50	=	97.0	nM	317.4	CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21	Homo sapiens	CHEMBL1250110	assay format
CHEMBL180239		IC50	=	290.0	nM	364.4	COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)[nH]n2)ccc1O	Homo sapiens	CHEMBL2148930	single protein format
CHEMBL181529		IC50	=	680.0	nM	365.39	COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)on2)ccc1O	Homo sapiens	CHEMBL2148930	single protein format
CHEMBL4556306		IC50	=	790.0	nM	429.58	COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccccc2)cc1	Homo sapiens	CHEMBL4381690	single protein format
CHEMBL4572769		IC50	=	810.0	nM	511.73	COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccc(C3CCCCC3)cc2)cc1	Homo sapiens	CHEMBL4381690	single protein format
CHEMBL4515601		IC50	=	840.0	nM	401.53	COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCC2)c2ccccc2)cc1	Homo sapiens	CHEMBL4381690	single protein format
CHEMBL3593777		IC50	=	1000.0	nM	379.4	N#Cc1ccc(N2CC[C@@H](Nc3c(C(N)=O)cnc4[nH]ccc34)[C@@H](F)C2)nc1	Homo sapiens	CHEMBL3595090	single protein format
CHEMBL5191835		Ki	=	500.0	nM	278.69	O=C(O)Cc1ccc(O)cc1Oc1ccccc1Cl	Homo sapiens	CHEMBL5166479	cell-based format
CHEMBL5175277		Ki	=	800.0	nM	312.15	O=C(O)Cc1ccc(O)cc1Nc1c(Cl)cccc1Cl	Homo sapiens	CHEMBL5166479	cell-based format