HOME LIGAND hPROTEOME OTHERS DOCUMENT

P53396 | ACLY_HUMAN | ATP-citrate synthase (ACLY)

3D structures mapped by conservation among orthologs

[ Domain: "Citrate synthase" // Citrate_synt ]

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

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

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

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL399379 OBDepict CH 3 O HN S O O OH Cl Cl IC50 = 130.0 nM 424.31 COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O Homo sapiens CHEMBL906357 single protein format
CHEMBL118715 OBDepict OH O OH OH H O OH O HO 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 OBDepict Cl Cl S OH HN O O 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
CHEMBL120302 OBDepict Cl OH H OH O HO O OH 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 OBDepict Cl OH H OH O HO O OH 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 OBDepict Cl N CH 3 CH 3 HO H HO O HO O HO 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 OBDepict Cl N CH 3 CH 3 HO H HO O HO O HO 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
CHEMBL250942 OBDepict Cl Cl S OH HN O O O O IC50 = 340.0 nM 478.35 O=C(OC/C=Cc1ccccc1)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O Homo sapiens CHEMBL906357 single protein format
CHEMBL122307 OBDepict HO O HO O OH HO H N Cl 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
CHEMBL250941 OBDepict H 3 C O H 3 C CH 3 O N H S O O OH Cl Cl 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
CHEMBL2165263 OBDepict HO O HO O OH HO H N Cl 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 OBDepict Cl Cl HO H HO OH H O OH O OH 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 OBDepict Cl Cl HO H HO OH H O OH O OH 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 OBDepict Cl Cl HO H HO OH H O OH O OH 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 OBDepict OH O OH F F O HO O OH 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 OBDepict Cl N OH H OH O HO O OH 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 OBDepict Cl N OH H OH O HO O OH 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 OBDepict Cl HO H HO O HO O HO 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
CHEMBL119628 OBDepict HO O OH O OH HO H Cl Cl Ki = 770.0 nM 407.29 O=C(O)C[C@@](O)(C[C@H](O)CCCCCCc1ccc(Cl)cc1Cl)C(=O)O Homo sapiens CHEMBL643074 single protein format