3D structures mapped by conservation among orthologs

[ Domain: "PH domain-like" // PH_10 ]

 PyMOL session

[ Domain: "Histone" // Histone_1 ]

 PyMOL session

[ Domain: "DBL homology domain (DH-domain)" // RhoGEF ]

 PyMOL session

[ Domain: "Ras GEF" // RasGEF ]

 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
CHEMBL4442809		IC50	=	1.0	nM	455.56	Cc1cccc([C@@H](C)Nc2nc(C)nc3ccc(-c4ccn(CC(=O)N(C)C)c(=O)c4)cc23)c1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4557641		IC50	=	2.0	nM	584.69	COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1[C@H]1CC[C@H](C(=O)N2CCN(C)CC2)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4515975		IC50	=	2.0	nM	529.61	COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1[C@H]1CC[C@H](C(=O)N(C)C)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4593376		IC50	=	2.0	nM	543.63	Cc1nc(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)c2cc([C@H]3CC[C@H](C(=O)N(C)C[C@H](C)O)CC3)ccc2n1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4588008		IC50	=	2.0	nM	573.66	COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3C)c2cc1[C@H]1CC[C@H](C(=O)N(C)CCO)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4586874		IC50	=	2.0	nM	573.66	COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3C)c2cc1[C@H]1CC[C@@H](C(=O)N(C)CCO)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4519925		IC50	=	2.0	nM	587.69	COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3C)c2cc1[C@H]1CC[C@H](C(=O)N(C)C[C@@H](C)O)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4532163		IC50	=	2.0	nM	501.55	COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1C1CCN(C(C)=O)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4475551		IC50	=	2.0	nM	519.54	COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3F)c2cc1C1CCN(C(C)=O)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4529467		IC50	=	2.0	nM	524.61	COc1cc2nc(C)nc(N[C@H](C)c3cccc(C(F)(F)CO)c3)c2cc1C1=CCC(C(=O)N(C)C)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4449786		IC50	=	2.0	nM	526.58	COCC(=O)N1CC=C(c2cc3c(N[C@H](C)c4cccc(C(F)(F)CO)c4)nc(C)nc3cc2OC)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4469357		IC50	=	2.0	nM	501.55	COCC(=O)N1CCC(c2ccc3nc(C)nc(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)c3c2)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4554249		IC50	=	2.0	nM	513.61	Cc1nc(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)c2cc([C@H]3CC[C@H](C(=O)N(C)C)CC3)c(C)cc2n1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4550769		IC50	=	2.0	nM	598.71	COCCN1CCN(C(=O)[C@H]2CC[C@H](c3ccc4nc(C)nc(N[C@H](C)c5cc(N)cc(C(F)(F)F)c5)c4c3)CC2)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4436505		IC50	=	2.0	nM	543.63	COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3C)c2cc1[C@H]1CC[C@H](C(=O)N(C)C)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4449981		IC50	=	2.0	nM	547.6	COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3F)c2cc1[C@H]1CC[C@H](C(=O)N(C)C)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4474160		IC50	=	2.0	nM	543.63	COCCN(C)C(=O)[C@H]1CC[C@H](c2ccc3nc(C)nc(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)c3c2)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4471555		IC50	=	2.0	nM	498.57	COc1cc2nc(C)nc(N[C@H](C)c3cccc(C(F)(F)CO)c3)c2cc1C1CCN(C(C)=O)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4465802		IC50	=	2.0	nM	571.64	COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1[C@H]1CC[C@H](C(=O)N2CCOCC2)CC1	Homo sapiens	CHEMBL4421312	single protein format
CHEMBL4456066		IC50	=	2.0	nM	528.6	COCC(=O)N1CCC(c2cc3c(N[C@H](C)c4cccc(C(F)(F)CO)c4)nc(C)nc3cc2OC)CC1	Homo sapiens	CHEMBL4421312	single protein format