3D structures mapped by conservation among orthologs

[ Domain: "Dipeptidyl-peptidase 2 helical domain" // Peptidase_S28_2nd ]

 PyMOL session

[ Domain: "alpha/beta-Hydrolases" // Peptidase_S28_1st ]

 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
CHEMBL98801		IC50	=	0.22	nM	323.87	CN(CC[C@H](N)C(=O)N1CCCCC1)Cc1ccc(Cl)cc1	Homo sapiens	CHEMBL666614	single protein format
CHEMBL98762		IC50	=	0.23	nM	309.84	N[C@@H](CCNCc1ccccc1Cl)C(=O)N1CCCCC1	Homo sapiens	CHEMBL666614	single protein format
CHEMBL99506		IC50	=	0.39	nM	327.83	N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCC(F)CC1	Homo sapiens	CHEMBL666614	single protein format
CHEMBL418979		IC50	=	0.39	nM	381.52	N[C@@H](CCNCc1ccccc1OCc1ccccc1)C(=O)N1CCCCC1	Homo sapiens	CHEMBL666614	single protein format
CHEMBL99247		IC50	=	0.41	nM	381.52	N[C@@H](CCNCc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1	Homo sapiens	CHEMBL666614	single protein format
CHEMBL98869		IC50	=	0.48	nM	309.84	N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1	Homo sapiens	CHEMBL666614	single protein format
CHEMBL398076		IC50	=	0.48	nM	231.1	CCCC[C@H](NC(=O)[C@@H](N)CCN)B(O)O	Homo sapiens	CHEMBL902270	single protein format
CHEMBL194354		IC50	=	0.48	nM	231.1	CCCC[C@@H](NC(=O)[C@@H](N)CCN)B(O)O	Homo sapiens	CHEMBL881765	single protein format
CHEMBL98148		IC50	=	0.55	nM	323.87	CC1CCN(C(=O)[C@@H](N)CCNCc2ccc(Cl)cc2)CC1	Homo sapiens	CHEMBL666614	single protein format
CHEMBL97970		IC50	=	0.6	nM	365.52	N[C@@H](CCN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCCC1	Homo sapiens	CHEMBL666614	single protein format
CHEMBL98060		IC50	=	0.62	nM	327.83	N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCC(F)C1	Homo sapiens	CHEMBL666614	single protein format
CHEMBL215299		IC50	=	0.62	nM	323.87	C[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1	Homo sapiens	CHEMBL856334	single protein format
CHEMBL99047		IC50	=	0.66	nM	305.42	COc1ccc(CNCC[C@H](N)C(=O)N2CCCCC2)cc1	Homo sapiens	CHEMBL666614	single protein format
CHEMBL194428		IC50	=	0.72	nM	215.06	NCC[C@H](N)C(=O)N1CCC[C@@H]1B(O)O	Homo sapiens	CHEMBL881765	single protein format
CHEMBL99111		IC50	=	0.75	nM	276.38	N[C@@H](CCNCc1ccncc1)C(=O)N1CCCCC1	Homo sapiens	CHEMBL666614	single protein format
CHEMBL98423		IC50	=	0.8	nM	281.43	N[C@@H](CCNCc1cccs1)C(=O)N1CCCCC1	Homo sapiens	CHEMBL666614	single protein format
CHEMBL397057		IC50	=	0.88	nM	211.31	NCC[C@H](N)C(=O)N1CC[C@H]2CCC[C@H]21	Homo sapiens	CHEMBL902270	single protein format
CHEMBL317312		IC50	=	0.9	nM	289.42	N[C@@H](CCNCCc1ccccc1)C(=O)N1CCCCC1	Homo sapiens	CHEMBL666614	single protein format
CHEMBL372180		IC50	=	1.0	nM	350.31	CCCCCC12CCC(NCC(=O)N3CCC[C@H]3B(O)O)(CC1)CC2	Homo sapiens	CHEMBL880568	single protein format
CHEMBL100370		IC50	=	1.1	nM	307.83	N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CC=CCC1	Homo sapiens	CHEMBL666614	single protein format