3D structures mapped by conservation among orthologs

[ Domain: "Heme-dependent peroxidases" // An_peroxidase ]

 PyMOL session

[ Domain: "EGF/Laminin" // hEGF_4 ]

 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
CHEMBL51085		IC50	=	0.0	nM	274.18	O=c1c2ccccc2[se]n1-c1ccccc1	Homo sapiens	CHEMBL969894	single protein format
CHEMBL2158361		IC50	=	0.0	nM	287.32	CC(Oc1cc(=O)oc2ccccc12)C(=O)N1CCCC1	Homo sapiens	CHEMBL2161532	cell-based format
CHEMBL452730		IC50	=	0.0	nM	328.27	COc1ccc(-c2[se]ncc2-c2ccc(C)cc2)cc1	Homo sapiens	CHEMBL969894	single protein format
CHEMBL513405		IC50	=	0.0	nM	332.69	Cc1ccc(-c2cn[se]c2-c2ccc(Cl)cc2)cc1	Homo sapiens	CHEMBL969894	single protein format
CHEMBL471171		IC50	=	0.0	nM	332.69	Cc1ccc(-c2[se]ncc2-c2ccc(Cl)cc2)cc1	Homo sapiens	CHEMBL969894	single protein format
CHEMBL501676		IC50	=	0.0	nM	353.11	Clc1ccc(-c2cn[se]c2-c2ccc(Cl)cc2)cc1	Homo sapiens	CHEMBL969894	single protein format
CHEMBL134342		IC50	=	0.0	nM	206.33	O=C(O)CCCC[C@@H]1CCSS1	Homo sapiens	CHEMBL969894	single protein format
CHEMBL5196097		IC50	=	0.006	nM	377.45	[11CH3]Oc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)[nH]c3ccccc23)cc1	Homo sapiens	CHEMBL5152276	single protein format
CHEMBL499068		IC50	=	0.006	nM	378.45	COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)[nH]c3ccccc23)cc1	Homo sapiens	CHEMBL997791	single protein format
CHEMBL501208		IC50	=	0.02	nM	365.43	CS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccc(F)cc2)cc1	Homo sapiens	CHEMBL997791	single protein format
CHEMBL499069		IC50	=	0.02	nM	377.47	COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)[nH]c3ccccc23)cc1	Homo sapiens	CHEMBL997791	single protein format
CHEMBL525247		IC50	=	0.02	nM	362.45	Cc1ccc2[nH]c(-c3ccc(S(N)(=O)=O)cc3)c(-c3ccccc3)c2c1	Homo sapiens	CHEMBL997791	single protein format
CHEMBL502555		IC50	=	0.07	nM	362.45	Cc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)[nH]c3ccccc23)cc1	Homo sapiens	CHEMBL997791	single protein format
CHEMBL143776		IC50	=	0.08	nM	321.37	Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2C2CCC3C2)cc1	Homo sapiens	CHEMBL769655	single protein format
CHEMBL524543		IC50	=	0.09	nM	361.47	Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)[nH]c3ccccc23)cc1	Homo sapiens	CHEMBL997791	single protein format
CHEMBL500936		IC50	=	0.09	nM	348.43	NS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1	Homo sapiens	CHEMBL997791	single protein format
CHEMBL140167		IC50	=	0.12	nM	335.4	Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2C2CCC3CC2)cc1	Homo sapiens	CHEMBL769655	single protein format
CHEMBL499349		IC50	=	0.14	nM	382.87	NS(=O)(=O)c1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1	Homo sapiens	CHEMBL997791	single protein format
CHEMBL525021		IC50	=	0.17	nM	375.49	Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)[nH]c3ccccc23)cc1C	Homo sapiens	CHEMBL997791	single protein format
CHEMBL500943		IC50	=	0.18	nM	390.46	CC(=O)NS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1	Homo sapiens	CHEMBL997791	single protein format