ProtHub

P53396 | ACLY_HUMAN | ATP-citrate synthase (ACLY)

Pfam Domain Table

Accession	Domain	Range
PF00285	Citrate_synt - Citrate synthase, C-terminal domain	888~1081
PF00549	Ligase_CoA - CoA-ligase	660~784
PF02629	CoA_binding - CoA binding domain	495~600
PF16114	Citrate_bind - ATP citrate lyase citrate-binding	244~420
PF24948	Citrate_synth_N - ATP-citrate synthase ATP-grasp domain	2~233

3D structures mapped by conservation among orthologs

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

IC50 CSV Ki CSV

Only the first 20 rows are shown.

molecule_chembl_id	assay_type	relation	value	unit	mol_wt	smiles	organism	assay_chembl_id	bao_label
CHEMBL5406616	IC50	=	2.1	nM	453.85	COC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1	Homo sapiens	CHEMBL5350820	single protein format
CHEMBL5439664	IC50	=	69.7	nM	450.85	O=C1NCc2ccccc2-c2cc(c(F)cc2F)NS(=O)(=O)c2cc1cc(Cl)c2O	Homo sapiens	CHEMBL5350820	single protein format
CHEMBL399379	IC50	=	130.0	nM	424.31	COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O	Homo sapiens	CHEMBL906357	single protein format
CHEMBL118715	IC50	=	150.0	nM	208.12	O=C(O)C[C@@](O)(C(=O)O)[C@H](O)C(=O)O	Homo sapiens	CHEMBL906357	single protein format
CHEMBL400743	IC50	=	190.0	nM	546.48	O=S(=O)(Nc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)c1cc(Cl)cc(Cl)c1O	Homo sapiens	CHEMBL906357	single protein format
CHEMBL250942	IC50	=	340.0	nM	478.35	O=C(OC/C=C\c1ccccc1)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O	Homo sapiens	CHEMBL906357	single protein format
CHEMBL250941	IC50	=	370.0	nM	500.44	CC1CCC(C(C)C)C(OC(=O)c2ccccc2NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)C1	Homo sapiens	CHEMBL906357	single protein format
CHEMBL120302	Ki	=	220.0	nM	446.93	O=C(O)C[C@@](O)(C[C@H](O)CCCCCC1c2ccccc2-c2cc(Cl)ccc21)C(=O)O	Homo sapiens	CHEMBL643074	single protein format
CHEMBL2163366	Ki	=	220.0	nM	446.93	O=C(O)C[C@](O)(C[C@@H](O)CCCCCC1c2ccccc2-c2cc(Cl)ccc21)C(=O)O	Homo sapiens	CHEMBL2169035	single protein format
CHEMBL118107	Ki	=	300.0	nM	465.97	Cc1cn(-c2cc(Cl)ccc2CCCCCC[C@@H](O)C[C@](O)(CC(=O)O)C(=O)O)cc1C	Homo sapiens	CHEMBL643074	single protein format
CHEMBL2165260	Ki	=	340.0	nM	465.97	Cc1cn(-c2cc(Cl)ccc2CCCCCC[C@H](O)C[C@@](O)(CC(=O)O)C(=O)O)cc1C	Homo sapiens	CHEMBL2169035	single protein format
CHEMBL122307	Ki	=	370.0	nM	473.95	O=C(O)C[C@@](O)(C[C@H](O)CCCCCn1c(-c2ccccc2)cc2cc(Cl)ccc21)C(=O)O	Homo sapiens	CHEMBL643074	single protein format
CHEMBL2165263	Ki	=	370.0	nM	473.95	O=C(O)C[C@](O)(C[C@@H](O)CCCCCn1c(-c2ccccc2)cc2cc(Cl)ccc21)C(=O)O	Homo sapiens	CHEMBL2169035	single protein format
CHEMBL120008	Ki	=	550.0	nM	423.29	O=C(O)[C@H](O)[C@@](O)(C[C@H](O)CCCCCCc1ccc(Cl)cc1Cl)C(=O)O	Homo sapiens	CHEMBL643074	single protein format
CHEMBL120142	Ki	=	620.0	nM	423.29	O=C(O)[C@@H](O)[C@@](O)(C[C@H](O)CCCCCCc1ccc(Cl)cc1Cl)C(=O)O	Homo sapiens	CHEMBL643074	single protein format
CHEMBL2165259	Ki	=	620.0	nM	423.29	O=C(O)[C@H](O)[C@](O)(C[C@@H](O)CCCCCCc1ccc(Cl)cc1Cl)C(=O)O	Homo sapiens	CHEMBL2169035	single protein format
CHEMBL2165262	Ki	=	700.0	nM	228.1	O=C(O)C[C@@](O)(C(=O)O)C(F)(F)C(=O)O	Homo sapiens	CHEMBL4275769	assay format
CHEMBL332774	Ki	=	710.0	nM	447.92	O=C(O)C[C@@](O)(C[C@H](O)CCCCCn1c2ccccc2c2cc(Cl)ccc21)C(=O)O	Homo sapiens	CHEMBL643074	single protein format
CHEMBL2165264	Ki	=	710.0	nM	447.92	O=C(O)C[C@](O)(C[C@@H](O)CCCCCn1c2ccccc2c2cc(Cl)ccc21)C(=O)O	Homo sapiens	CHEMBL2169035	single protein format
CHEMBL332631	Ki	=	750.0	nM	448.94	O=C(O)C[C@@](O)(C[C@H](O)CCCCCCc1ccc(Cl)cc1-c1ccccc1)C(=O)O	Homo sapiens	CHEMBL643074	single protein format

Pfam Domain Table

[ Domain: "Citrate synthase" // Citrate_synt ]

[ Domain: "ATP-grasp" // ATP-grasp_2 ]

[ Domain: "NAD(P)-binding Rossmann-fold domains" // CoA_binding ]

[ Domain: "Succinyl-CoA synthetase domains" // Succ_CoA_lig ]

[ Domain: "Succinyl-CoA synthetase domains" // Citrate_bind ]