3D structures mapped by conservation among orthologs

[ Domain: "ARM repeat" // TPR_11_8 ]

 PyMOL session

[ Domain: "FKBP-like" // FKBP_C ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 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
CHEMBL4090599		Ki	=	24.5	nM	498.43	COC[C@H]1CN(Cc2ccccn2)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1	Homo sapiens	CHEMBL4048818	single protein format
CHEMBL3793603		Ki	=	140.0	nM	529.68	COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)NC2(C(N)=O)CCCC2)C2CCCCC2)cc(OC)c1OC	Homo sapiens	CHEMBL3795199	single protein format
CHEMBL2348594		Ki	=	300.0	nM	547.66	COc1ccc(OCCN2CCC3CCCC(C2=O)N3S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1OC	Homo sapiens	CHEMBL2351899	single protein format
CHEMBL6367		Ki	=	447.0	nM	360.45	CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1	Homo sapiens	CHEMBL5253378	single protein format
CHEMBL3794209		Ki	=	800.0	nM	586.73	COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)NC2(C(=O)NCC(N)=O)CCCC2)C2CCCCC2)cc(OC)c1OC	Homo sapiens	CHEMBL3795199	single protein format
CHEMBL333448		Ki	=	958.0	nM	367.44	CCOC(=O)CN1C(=O)CC(C[C@@H](O)[C@@H]2C[C@@H](C)C[C@H](C)C2=O)CC1=O	Homo sapiens	CHEMBL5253378	single protein format
CHEMBL2348599		Ki	=	1000.0	nM	559.47	COc1ccc(OCCN2CCC3CCCC(C2=O)N3S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)cc1OC	Homo sapiens	CHEMBL2351899	single protein format