3D structures mapped by conservation among orthologs

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

 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
CHEMBL5169427		IC50	=	0.1	nM	483.02	CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)[C@H]2C[C@H]21)c1ccc(Cl)cc1	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL5182446		IC50	=	0.1	nM	481.0	C[C@@H]1CC(=O)Nc2ncnc(N3CCN(C(=O)[C@H](CNC4CC4)c4ccc(Cl)cc4)[C@@H]4C[C@@H]43)c21	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL5197007		IC50	=	0.1	nM	484.99	CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)OC(=O)N3)[C@H]2C[C@H]21)c1ccc(Cl)cc1	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL4441825		IC50	=	0.12	nM	499.35	Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN[C@H](CCO)C[C@H]2c2ccc(F)c(F)c2)oc1Cl	Homo sapiens	CHEMBL4407365	single protein format
CHEMBL5175332		IC50	=	0.2	nM	472.98	CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)OC(=O)N3)CC1)c1ccc(Cl)cc1	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL5195745		IC50	=	0.2	nM	497.04	CC(C)NC[C@@H](C(=O)N1C2CCC1CN(c1ncnc3c1[C@H](C)CC(=O)N3)C2)c1ccc(Cl)cc1	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL5175628		IC50	=	0.2	nM	479.05	[2H]C1([2H])N(C(=O)[C@H](CNC(C)C)c2ccc(Cl)cc2)C([2H])([2H])C([2H])([2H])N(c2ncnc3c2[C@H](C)CC(=O)N3)C1([2H])[2H]	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL5180219		IC50	=	0.2	nM	499.02	CC(C)NC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncnc2c1[C@H](C)OC(=O)N2)c1ccc(Cl)cc1	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL5190230		IC50	=	0.2	nM	544.06	CC(C)NC[C@@H](C(=O)N1C2CCC1CN(c1ncnc3c1N(C)CC(=O)N3)C2)c1ccc(Cl)cc1.O=CO	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL5177491		IC50	=	0.3	nM	497.04	CC(C)NC[C@@H](C(=O)N1CC2CCC(C1)N2c1ncnc2c1[C@H](C)CC(=O)N2)c1ccc(Cl)cc1	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL5206905		IC50	=	0.3	nM	471.01	CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)CC1)c1ccc(Cl)cc1	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL5189707		IC50	=	0.4	nM	499.02	CC(C)NC[C@@H](C(=O)N1[C@@H]2CC[C@H]1CN(c1ncnc3c1[C@H](C)OC(=O)N3)C2)c1ccc(Cl)cc1	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL5195664		IC50	=	0.4	nM	508.45	CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2N(C)CC(=O)N3)CC1)c1ccc(Cl)cc1.Cl	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL5187172		IC50	=	0.5	nM	498.03	CC(C)NC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncnc2c1N(C)CC(=O)N2)c1ccc(Cl)cc1	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL5171561		IC50	=	0.5	nM	484.0	CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2N(C)CC(=O)N3)[C@H]2C[C@H]21)c1ccc(Cl)cc1	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL5193325		IC50	=	0.5	nM	553.11	COC1CCC(NC[C@@H](C(=O)N2CCN(c3ncnc4c3[C@H](C)CC(=O)N4)[C@H]3C[C@H]32)c2ccc(Cl)cc2)CC1	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL5187508		IC50	=	0.7	nM	440.94	C[C@@H]1CC(=O)Nc2ncnc(N3CCN(C(=O)[C@H](CN)c4ccc(Cl)cc4)[C@@H]4C[C@@H]43)c21	Homo sapiens	CHEMBL5168687	cell-based format
CHEMBL593374		IC50	=	1.0	nM	492.58	Cc1occc1-c1nc(N)c(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1ccc2[nH]nc(C)c2c1	Homo sapiens	CHEMBL1072612	single protein format
CHEMBL594072		IC50	=	1.0	nM	537.58	Cc1occc1-c1nc(N)c(OC[C@@H](N)Cc2c(C(N)=O)[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1	Homo sapiens	CHEMBL1072612	single protein format
CHEMBL594933		IC50	=	1.0	nM	464.53	Cc1n[nH]c2cnc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12	Homo sapiens	CHEMBL1069943	single protein format