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P43005 | EAA3_HUMAN | Excitatory amino acid transporter 3 (SLC1A1)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL2113115 OBDepict O HN H 2 N H O HO F IC50 = 50.0 nM 314.32 N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1cc(F)ccc1-2)C(=O)O Homo sapiens CHEMBL881964 cell-based format
CHEMBL575060 OBDepict OH O NH 2 H O OH Ki = 51.0 nM 147.13 N[C@@H](CCC(=O)O)C(=O)O Homo sapiens CHEMBL1013069 cell-based format
CHEMBL4177507 OBDepict OH O H 2 N H O H N H O IC50 = 55.0 nM 402.45 N[C@H](C(=O)O)[C@H](OCc1ccccc1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 Homo sapiens CHEMBL4150968 cell-based format
CHEMBL4176482 OBDepict O N H O H NH 2 H O HO O Br F F IC50 = 94.0 nM 521.31 N[C@H](C(=O)O)[C@H](OCc1ccccc1)C(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1 Homo sapiens CHEMBL4150968 cell-based format
CHEMBL4176427 OBDepict O HN O H F F F NH 2 H O OH O HO IC50 = 110.0 nM 454.4 N[C@H](C(=O)O)[C@H](OCc1cccc(NC(=O)CCc2ccc(C(F)(F)F)cc2)c1)C(=O)O Homo sapiens CHEMBL4150968 cell-based format
CHEMBL4165811 OBDepict O HN O F F F H NH 2 H O HO O OH IC50 = 130.0 nM 440.37 N[C@H](C(=O)O)[C@H](OCc1cccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1)C(=O)O Homo sapiens CHEMBL4150968 cell-based format
CHEMBL2113112 OBDepict O N H H 2 N H O OH CH 3 F F F IC50 = 140.0 nM 366.34 Cc1cc(NC(=O)C[C@H](N)C(=O)O)ccc1-c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL881964 cell-based format
CHEMBL2113116 OBDepict O HN H 2 N H O HO Cl IC50 = 200.0 nM 330.77 N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1cc(Cl)ccc1-2)C(=O)O Homo sapiens CHEMBL881964 cell-based format
CHEMBL4173045 OBDepict OH O O H NH 2 H O OH N H O F F F IC50 = 290.0 nM 426.35 N[C@H](C(=O)O)[C@H](OCc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)O Homo sapiens CHEMBL4150968 cell-based format
CHEMBL2113111 OBDepict CH 3 HN O Cl H 2 N H F O HO IC50 = 300.0 nM 364.8 CCc1cc(-c2ccc(F)c(Cl)c2)ccc1NC(=O)C[C@H](N)C(=O)O Homo sapiens CHEMBL881964 cell-based format
CHEMBL1257519 OBDepict OH O O H NH 2 H O OH N H O F F F IC50 = 300.0 nM 426.35 N[C@H](C(=O)O)[C@H](OCc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)O Homo sapiens CHEMBL1259929 cell-based format
CHEMBL1628570 OBDepict O HN H 2 N H O HO IC50 = 420.0 nM 296.33 N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)O Homo sapiens CHEMBL881964 cell-based format
CHEMBL2113118 OBDepict O NH NH 2 H O OH Cl Cl IC50 = 450.0 nM 365.22 N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1c(Cl)cc(Cl)cc1-2)C(=O)O Homo sapiens CHEMBL881964 cell-based format
CHEMBL2113122 OBDepict O NH NH 2 H O OH F F F IC50 = 500.0 nM 352.31 N[C@@H](CC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1)C(=O)O Homo sapiens CHEMBL881964 cell-based format
CHEMBL4162363 OBDepict O N H F F F O H NH 2 H O OH O OH IC50 = 530.0 nM 426.35 N[C@H](C(=O)O)[C@H](OCc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1)C(=O)O Homo sapiens CHEMBL4150968 cell-based format
CHEMBL424838 OBDepict O N H NH 2 CH 3 O OH IC50 = 600.0 nM 298.34 Cc1cc(-c2ccccc2)ccc1NC(=O)CC(N)C(=O)O Homo sapiens CHEMBL881964 cell-based format
CHEMBL2113123 OBDepict O NH H 2 N H O OH CH 3 F F F IC50 = 600.0 nM 366.34 Cc1cc(-c2cccc(C(F)(F)F)c2)ccc1NC(=O)C[C@H](N)C(=O)O Homo sapiens CHEMBL881964 cell-based format
CHEMBL2113113 OBDepict O NH NH 2 H O OH F F F Cl F IC50 = 600.0 nM 404.75 N[C@@H](CC(=O)Nc1ccc(-c2ccc(F)c(Cl)c2)c(C(F)(F)F)c1)C(=O)O Homo sapiens CHEMBL881964 cell-based format
CHEMBL2113117 OBDepict O HN H 2 N H O HO Br IC50 = 650.0 nM 375.22 N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2)C(=O)O Homo sapiens CHEMBL881964 cell-based format
CHEMBL458273 OBDepict H NH 2 H O HO O OH IC50 = 800.0 nM 223.23 N[C@H](C(=O)O)[C@H](Cc1ccccc1)C(=O)O Homo sapiens CHEMBL4731541 cell-based format
CHEMBL4166966 OBDepict H O O HO H 2 N H O OH CH IC50 = 840.0 nM 187.15 C#CCO[C@H](C(=O)O)[C@H](N)C(=O)O Homo sapiens CHEMBL4150968 cell-based format
CHEMBL2113126 OBDepict O N H H 2 N H O OH CH 3 Cl Cl IC50 = 850.0 nM 367.23 Cc1cc(NC(=O)C[C@H](N)C(=O)O)ccc1-c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL881964 cell-based format
CHEMBL4169695 OBDepict HO O O H H 2 N H O HO S IC50 = 860.0 nM 245.26 N[C@H](C(=O)O)[C@H](OCc1ccsc1)C(=O)O Homo sapiens CHEMBL4150968 cell-based format
CHEMBL446256 OBDepict H O OH O NH 2 H O OH Ki = 1000.0 nM 267.28 N[C@@H](C[C@@H](COCc1ccccc1)C(=O)O)C(=O)O Homo sapiens CHEMBL1013069 cell-based format
CHEMBL3960774 OBDepict H NH 2 HN O HO O OH S O O Cl IC50 = 1000.0 nM 322.73 N[C@H](C(=O)O)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O Homo sapiens CHEMBL3861226 cell-based format
CHEMBL198315 OBDepict NH 2 O OH N H O IC50 = 1000.0 nM 284.31 NC(CC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)O Homo sapiens CHEMBL881964 cell-based format
CHEMBL425569 OBDepict CH 3 N O HN O H 2 N O OH IC50 = 1000.0 nM 341.37 CCN1c2ccccc2Oc2ccc(NC(=O)CC(N)C(=O)O)cc21 Homo sapiens CHEMBL881964 cell-based format
CHEMBL373283 OBDepict O N H NH 2 O OH CH 3 Cl F IC50 = 1000.0 nM 350.78 Cc1ccc(NC(=O)CC(N)C(=O)O)cc1-c1ccc(F)c(Cl)c1 Homo sapiens CHEMBL881964 cell-based format