3D structures mapped by conservation among orthologs

[ Domain: "HSP20-like chaperones" // HSP20 ]

 PyMOL session

[ Domain: "Alpha-crystallin B chain N-terminal domain" // UNK_F_TYPE ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 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
CHEMBL476141		IC50	=	6.0	nM	468.6	Cc1ccc(NC(=O)c2ccnc(N3CCCCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1	Homo sapiens	CHEMBL987300	cell-based format
CHEMBL2152944		IC50	=	25.0	nM	425.43	O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21	Homo sapiens	CHEMBL4883803	single protein format
CHEMBL476351		IC50	=	27.0	nM	470.57	Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1	Homo sapiens	CHEMBL987300	cell-based format
CHEMBL478649		IC50	=	53.0	nM	348.45	Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1	Homo sapiens	CHEMBL987300	cell-based format
CHEMBL103667		IC50	=	58.0	nM	527.67	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	Homo sapiens	CHEMBL987300	cell-based format
CHEMBL477583		IC50	=	88.0	nM	374.44	Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(C(=O)NCC2CC2)cc1	Homo sapiens	CHEMBL987300	cell-based format
CHEMBL95692		IC50	=	160.0	nM	353.4	COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1	Homo sapiens	CHEMBL987300	cell-based format
CHEMBL1935538		IC50	=	200.0	nM	482.56	Cc1ccc(C)c(COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2N(C)S(C)(=O)=O)c1	Homo sapiens	CHEMBL3587752	single protein format
CHEMBL2316207		IC50	<	1000.0	nM	592.67	O=C(NCCN1CCOCC1)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)c(NC(=O)c4ccccc4)c3)cc1CC2	Homo sapiens	CHEMBL4883791	single protein format
CHEMBL4436748		IC50	<	1000.0	nM	459.59	Nc1c(C(=O)NCc2ccc(C(=O)NCCCC3CCCCC3)cc2)cnn1-c1ccccc1	Homo sapiens	CHEMBL4883791	single protein format