3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_2 ]

 PyMOL session

[ Domain: "Hormone receptor domain (HRM, Pfam 02793)" // HRM ]

 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
CHEMBL2024603		IC50	=	0.21	nM	538.61	Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(C=O)ccn2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2022604		IC50	=	0.24	nM	590.73	Cc1cc(CC(OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(CN3CCCC3)ccn2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2022609		IC50	=	0.24	nM	586.7	Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(-c3ccccc3)n[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2022599		IC50	=	0.27	nM	587.68	Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(-c3ccncc3)ccn2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2022598		IC50	=	0.33	nM	581.68	Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(C(=O)N(C)C)ccn2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2022607		IC50	=	0.33	nM	589.49	Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(Br)n[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2024595		IC50	=	0.38	nM	589.49	Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cccc(Br)n2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2022608		IC50	=	0.39	nM	545.04	Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(Cl)n[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2024599		IC50	=	0.46	nM	560.66	Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc3ccccc3cn2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2024594		IC50	=	0.49	nM	588.51	Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cccc(Br)n2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2024598		IC50	=	0.82	nM	559.67	Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc3ccccc3cn2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2024589		IC50	=	1.1	nM	536.64	Cc1cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccc(C=O)cn2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2022610		IC50	=	1.3	nM	538.61	Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(C=O)n[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2024597		IC50	=	1.4	nM	560.66	Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccc3ccccc3n2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2024593		IC50	=	1.5	nM	510.6	Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2024596		IC50	=	2.0	nM	559.67	Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccc3ccccc3n2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2024602		IC50	=	2.0	nM	540.62	Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(CO)ccn2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2018511		IC50	=	2.7	nM	556.71	Cc1cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(C)CC2)cc2cn[nH]c12	Homo sapiens	CHEMBL2020109	cell-based format
CHEMBL2022597		IC50	=	3.0	nM	535.61	Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(C#N)ccn2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format
CHEMBL2024592		IC50	=	3.1	nM	509.61	Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2cn[nH]c12	Homo sapiens	CHEMBL2025456	cell-based format