3D structures mapped by conservation among orthologs

[ Domain: "Periplasmic binding protein-like I" // ANF_receptor_2nd_1 ]

 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
CHEMBL2381643		IC50	=	6.3	nM	201.18	N[C@@]1(C(=O)O)C[C@H](O)[C@H]2[C@H](C(=O)O)[C@H]21	Homo sapiens	CHEMBL4719944	single protein format
CHEMBL2381642		IC50	=	11.2	nM	201.18	N[C@@]1(C(=O)O)C[C@@H](O)[C@H]2[C@H](C(=O)O)[C@H]21	Homo sapiens	CHEMBL4719944	single protein format
CHEMBL8759		IC50	=	27.9	nM	185.18	N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21	Homo sapiens	CHEMBL4719944	single protein format
CHEMBL2204436		IC50	=	190.0	nM	402.12	Clc1ccc(CN[C@H]2CCN(c3ncc(Br)cn3)C2)c(Cl)c1	Homo sapiens	CHEMBL2213651	cell-based format
CHEMBL1629855		IC50	=	270.0	nM	423.44	Cc1cc(-c2cccc(C3=Nc4cc(C)c(C(F)(F)F)cc4NC(=O)C3)c2)cc(C)n1	Homo sapiens	CHEMBL2213653	cell-based format
CHEMBL3401195		IC50	=	290.0	nM	337.35	O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)cn21	Homo sapiens	CHEMBL3404398	single protein format
CHEMBL3401177		IC50	=	630.0	nM	335.34	O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)cn12	Homo sapiens	CHEMBL3404398	single protein format
CHEMBL218710		Ki	=	0.17	nM	219.22	N[C@@]1(C(=O)O)C[S+]([O-])[C@H]2[C@H](C(=O)O)[C@H]21	Homo sapiens	CHEMBL910532	cell-based format
CHEMBL4071962		Ki	=	0.47	nM	338.75	N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(Cl)c2)[C@H]2[C@H](C(=O)O)[C@H]21	Homo sapiens	CHEMBL4023218	cell-based format
CHEMBL4081453		Ki	=	0.927	nM	334.33	COc1cccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@@H]32)c1	Homo sapiens	CHEMBL4023218	cell-based format
CHEMBL432038		Ki	=	1.3	nM	353.37	N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O	Homo sapiens	CHEMBL4719948	cell membrane format
CHEMBL4068189		Ki	=	1.79	nM	320.3	N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2O)[C@H]2[C@H](C(=O)O)[C@H]21	Homo sapiens	CHEMBL4023218	cell-based format
CHEMBL4091203		Ki	=	2.11	nM	322.29	N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(F)c2)[C@H]2[C@H](C(=O)O)[C@H]21	Homo sapiens	CHEMBL4023218	cell-based format
CHEMBL4091735		Ki	=	2.27	nM	320.3	N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(O)c2)[C@H]2[C@H](C(=O)O)[C@H]21	Homo sapiens	CHEMBL4023218	cell-based format
CHEMBL4095567		Ki	=	2.29	nM	338.75	N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]2[C@H](C(=O)O)[C@H]21	Homo sapiens	CHEMBL4023218	cell-based format
CHEMBL4751065		Ki	=	2.5	nM	395.81	Cl.N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@H]1CSc1ccc(F)c(F)c1	Homo sapiens	CHEMBL4719948	cell membrane format
CHEMBL3969063		Ki	=	2.7	nM	459.31	N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](Sc2nc[nH]n2)[C@H]1OCc1ccc(Cl)c(Cl)c1	Homo sapiens	CHEMBL3869614	cell-based format
CHEMBL140197		Ki	=	3.0	nM	175.14	N[C@H](C(=O)O)[C@H]1[C@@H](O)[C@@H]1C(=O)O	Homo sapiens	CHEMBL714802	single protein format
CHEMBL4063336		Ki	=	4.34	nM	322.29	N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(F)cc2)[C@H]2[C@H](C(=O)O)[C@H]21	Homo sapiens	CHEMBL4023218	cell-based format
CHEMBL4759992		Ki	=	4.5	nM	474.97	Cc1cc(SC[C@@H]2[C@@H](Sc3nc[nH]n3)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F.Cl	Homo sapiens	CHEMBL4719948	cell membrane format