3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_2 ]

 PyMOL session

[ Domain: "Lysozyme-like" // Phage_lysozyme_2 ]

 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
CHEMBL14		IC50	=	0.4	nM	182.65	C[N+](C)(C)CCOC(N)=O.[Cl-]	Homo sapiens	CHEMBL749767	cell-based format
CHEMBL4853244		IC50	=	0.44	nM	432.57	Cn1cc2cc(-c3ccc(N[C@H]4C[C@@H]5CN(CC6CCOCC6)C[C@@H]5C4)nn3)ccc2n1	Homo sapiens	CHEMBL4839294	cell membrane format
CHEMBL1354199		IC50	=	0.706	nM	398.3	C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12.[Br-]	Homo sapiens	CHEMBL1909173	cell membrane format
CHEMBL517712		IC50	=	0.744	nM	289.38	CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2	Homo sapiens	CHEMBL1909173	cell membrane format
CHEMBL76897		IC50	=	1.9	nM	451.35	C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1.[I-]	Homo sapiens	CHEMBL857679	single protein format
CHEMBL1231		IC50	=	1.994	nM	357.49	CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1	Homo sapiens	CHEMBL1909173	cell membrane format
CHEMBL376897		IC50	=	2.3	nM	318.39	C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	Homo sapiens	CHEMBL749767	cell-based format
CHEMBL1201203		IC50	=	2.385	nM	307.44	CN1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2	Homo sapiens	CHEMBL1909173	cell membrane format
CHEMBL1123		IC50	=	2.947	nM	309.49	CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1	Homo sapiens	CHEMBL1909173	cell membrane format
CHEMBL629		IC50	=	5.297	nM	277.41	CN(C)CCC=C1c2ccccc2CCc2ccccc21	Homo sapiens	CHEMBL1909173	cell membrane format
CHEMBL1490		IC50	=	5.478	nM	301.47	OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1	Homo sapiens	CHEMBL1909173	cell membrane format
CHEMBL1092		IC50	=	6.7	nM	337.94	Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1	Homo sapiens	CHEMBL749766	cell-based format
CHEMBL643		IC50	=	7.576	nM	284.43	CC(CN1c2ccccc2Sc2ccccc21)N(C)C	Homo sapiens	CHEMBL1909173	cell membrane format
CHEMBL477542		IC50	=	10.0	nM	327.48	N=C(N)NCCCCCCCCC(=O)C(N)CCCNC(=N)N	Homo sapiens	CHEMBL1025829	single protein format
CHEMBL516		IC50	=	16.0	nM	287.41	CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1	Homo sapiens	CHEMBL1909173	cell membrane format
CHEMBL5287400		IC50	=	17.0	nM	417.49	COc1cc2ccc(-c3nc(C)ccc3-c3cnn(CC4(F)CCCC4)c3)cc2nn1	Homo sapiens	CHEMBL5233294	single protein format
CHEMBL1626		IC50	=	20.0	nM	343.9	CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1	Homo sapiens	CHEMBL1909173	cell membrane format
CHEMBL1200604		IC50	=	25.0	nM	284.36	CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1	Homo sapiens	CHEMBL1909173	cell membrane format
CHEMBL2107687		IC50	=	26.0	nM	386.37	CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-]	Homo sapiens	CHEMBL1909173	cell membrane format
CHEMBL1628227		IC50	=	42.0	nM	279.38	CN(C)CCC=C1c2ccccc2COc2ccccc21	Homo sapiens	CHEMBL1909173	cell membrane format