3D structures mapped by conservation among orthologs

[ Domain: "Galactose-binding domain-like" // F5_F8_type_C ]

 PyMOL session

[ Domain: "Galactose-binding domain-like" // KOG1094 ]

 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
CHEMBL3907057		IC50	=	0.9	nM	558.54	Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cc(C#N)cc(S(F)(F)(F)(F)F)c1	Homo sapiens	CHEMBL5210175	assay format
CHEMBL3969260		IC50	=	2.0	nM	460.95	Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12	Homo sapiens	CHEMBL3887352	single protein format
CHEMBL2336037		IC50	=	2.29	nM	386.84	Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1C#Cc1cnc2ccnn2c1	Homo sapiens	CHEMBL2342537	single protein format
CHEMBL4161036		IC50	=	2.4	nM	532.57	Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12	Homo sapiens	CHEMBL4151608	single protein format
CHEMBL4466555		IC50	=	3.0	nM	514.9	Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)C1(c2ncnc3[nH]cnc23)CC1	Homo sapiens	CHEMBL4331420	single protein format
CHEMBL4175086		IC50	=	3.2	nM	546.6	CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12	Homo sapiens	CHEMBL4151608	single protein format
CHEMBL255863		IC50	=	3.7	nM	529.53	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1	Homo sapiens	CHEMBL1251491	cell-based format
CHEMBL4164448		IC50	=	3.9	nM	546.6	CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12	Homo sapiens	CHEMBL4151608	single protein format
CHEMBL4164030		IC50	=	3.9	nM	522.58	CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc(N)nc1	Homo sapiens	CHEMBL4151608	single protein format
CHEMBL4439970		IC50	=	3.97	nM	428.41	Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1cncc(C(N)=O)c1	Homo sapiens	CHEMBL4338771	cell-based format
CHEMBL2336040		IC50	=	4.04	nM	382.42	COc1cccc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)c1	Homo sapiens	CHEMBL2342537	single protein format
CHEMBL388978		IC50	=	4.28	nM	466.54	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	Homo sapiens	CHEMBL4328384	single protein format
CHEMBL4846921		IC50	=	4.4	nM	508.67	CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc(NS(C)(=O)=O)c5)c4n3)cc2)CC1	Homo sapiens	CHEMBL4839024	single protein format
CHEMBL4539920		IC50	=	4.67	nM	485.44	Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1	Homo sapiens	CHEMBL4338771	cell-based format
CHEMBL3797933		IC50	=	4.7	nM	349.4	Nc1nc2cc(-c3nn(CC4CCCC4)c4ncnc(N)c34)ccc2o1	Homo sapiens	CHEMBL3801325	single protein format
CHEMBL5416410		IC50	=	4.8	nM	506.03	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.O	Homo sapiens	CHEMBL2342537	single protein format
CHEMBL4174682		IC50	=	5.0	nM	536.6	CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc(NC)nc1	Homo sapiens	CHEMBL4151608	single protein format
CHEMBL4794765		IC50	=	5.0	nM	532.57	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1	Homo sapiens	CHEMBL4706036	single protein format
CHEMBL3944137		IC50	=	5.0	nM	468.54	CC(=O)c1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1	Homo sapiens	CHEMBL3887352	single protein format
CHEMBL4558430		IC50	=	5.6	nM	478.48	Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)C[C@H](Nc3cncnc3)C4)cc(C(F)(F)F)c2)cn1	Homo sapiens	CHEMBL4407669	assay format