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Q8N5Z0 | AADAT_HUMAN | "Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial" (AADAT)

3D structures mapped by conservation among orthologs

[ Domain: "C-terminal domain in some PLP-dependent transferases" // Aminotran_1_2_C ]

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[ Domain: "PLP-dependent transferases" // Aminotran_1_2_N ]

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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
CHEMBL2347110 OBDepict H 3 C O N HO O H H 2 N Ki = 1.6 nM 298.34 COc1cc2c(cc1Cc1ccccc1)C[C@H](N)C(=O)N2O Homo sapiens CHEMBL2349998 single protein format
CHEMBL2321943 OBDepict H 3 C O O N HO O H H 2 N Ki = 1.66 nM 300.31 COc1cc2c(cc1Oc1ccccc1)C[C@H](N)C(=O)N2O Homo sapiens CHEMBL2329109 single protein format
CHEMBL2347108 OBDepict O N OH H NH 2 N N Ki = 1.9 nM 244.25 N[C@H]1Cc2cn(-c3ccccc3)nc2N(O)C1=O Homo sapiens CHEMBL2349998 single protein format
CHEMBL3220810 OBDepict CH 3 O O N NH 2 N O N H Ki = 5.1 nM 324.34 COc1cccc(Oc2ccc3c(c2)CC(N)c2n[nH]c(=O)n2-3)c1 Homo sapiens CHEMBL3225763 single protein format
CHEMBL2321944 OBDepict O N OH H NH 2 O Ki = 7.1 nM 270.29 N[C@H]1Cc2cc(Oc3ccccc3)ccc2N(O)C1=O Homo sapiens CHEMBL2329109 single protein format
CHEMBL2049092 OBDepict CH 3 O N OH O H H 2 N Ki = 7.7 nM 208.22 COc1ccc2c(c1)N(O)C(=O)[C@@H](N)C2 Homo sapiens CHEMBL2329109 single protein format
CHEMBL3660154 OBDepict CH 3 O N N N HO H NH 2 O IC50 = 8.93 nM 288.31 COc1cccc(Cn2cc3c(n2)N(O)C(=O)[C@@H](N)C3)c1 Homo sapiens CHEMBL3705555 single protein format
CHEMBL3660149 OBDepict O N OH H H 2 N N N H 3 C IC50 = 11.5 nM 272.31 Cn1nc2c(c1Cc1ccccc1)C[C@H](N)C(=O)N2O Homo sapiens CHEMBL3705555 single protein format
CHEMBL2347115 OBDepict O N HO H H 2 N N N Ki = 12.0 nM 258.28 N[C@H]1Cc2c(cnn2Cc2ccccc2)N(O)C1=O Homo sapiens CHEMBL2349998 single protein format
CHEMBL2047851 OBDepict OH N O H H 2 N Ki = 14.2 nM 178.19 N[C@H]1Cc2ccccc2N(O)C1=O Homo sapiens CHEMBL2329109 single protein format
CHEMBL3220812 OBDepict NH 2 N N N O Ki = 16.7 nM 278.31 NC1Cc2cc(Oc3ccccc3)ccc2-n2cnnc21 Homo sapiens CHEMBL3225763 single protein format
CHEMBL2049092 OBDepict CH 3 O N OH O H H 2 N IC50 = 22.0 nM 208.22 COc1ccc2c(c1)N(O)C(=O)[C@@H](N)C2 Homo sapiens CHEMBL2050766 single protein format
CHEMBL2347113 OBDepict CH 3 O N N H 3 C N H H 2 N HO O Ki = 22.0 nM 302.33 COc1cccc(Cc2nn(C)c3c2C[C@H](N)C(=O)N3O)c1 Homo sapiens CHEMBL2349998 single protein format
CHEMBL2347107 OBDepict O N OH H H 2 N N N Ki = 23.0 nM 258.28 N[C@H]1Cc2cn(Cc3ccccc3)nc2N(O)C1=O Homo sapiens CHEMBL2349998 single protein format
CHEMBL2047851 OBDepict OH N O H H 2 N IC50 = 23.0 nM 178.19 N[C@H]1Cc2ccccc2N(O)C1=O Homo sapiens CHEMBL2050766 single protein format
CHEMBL2347115 OBDepict O N HO H H 2 N N N IC50 = 23.0 nM 258.28 N[C@H]1Cc2c(cnn2Cc2ccccc2)N(O)C1=O Homo sapiens CHEMBL2349998 single protein format
CHEMBL2321944 OBDepict O N OH H NH 2 O IC50 = 23.0 nM 270.29 N[C@H]1Cc2cc(Oc3ccccc3)ccc2N(O)C1=O Homo sapiens CHEMBL2329110 single protein format
CHEMBL3660163 OBDepict H 3 C N N N HO O H H 2 N IC50 = 24.3 nM 286.33 CCn1nc2c(c1Cc1ccccc1)C[C@H](N)C(=O)N2O Homo sapiens CHEMBL3705555 single protein format
CHEMBL2347108 OBDepict O N OH H NH 2 N N IC50 = 25.0 nM 244.25 N[C@H]1Cc2cn(-c3ccccc3)nc2N(O)C1=O Homo sapiens CHEMBL2349998 single protein format
CHEMBL3660157 OBDepict CH 3 O N N N HO H NH 2 O IC50 = 28.3 nM 288.31 COc1ccc(Cn2cc3c(n2)N(O)C(=O)[C@@H](N)C3)cc1 Homo sapiens CHEMBL3705555 single protein format
CHEMBL2049095 OBDepict O N OH H NH 2 F F F IC50 = 29.0 nM 246.19 N[C@H]1Cc2cc(C(F)(F)F)ccc2N(O)C1=O Homo sapiens CHEMBL2050766 single protein format
CHEMBL2047861 OBDepict Cl N OH O H NH 2 IC50 = 29.0 nM 212.64 N[C@H]1Cc2ccc(Cl)cc2N(O)C1=O Homo sapiens CHEMBL2050766 single protein format
CHEMBL2049094 OBDepict CH 3 N OH H H 2 N O IC50 = 30.0 nM 192.22 Cc1ccc2c(c1)C[C@H](N)C(=O)N2O Homo sapiens CHEMBL2050766 single protein format
CHEMBL3660169 OBDepict O N OH H NH 2 N N F F F IC50 = 31.6 nM 312.25 N[C@H]1Cc2cn(-c3ccc(C(F)(F)F)cc3)nc2N(O)C1=O Homo sapiens CHEMBL3705555 single protein format
CHEMBL2347112 OBDepict O N HO H NH 2 N H 3 C N Ki = 32.0 nM 272.31 Cn1nc(Cc2ccccc2)c2c1N(O)C(=O)[C@@H](N)C2 Homo sapiens CHEMBL2349998 single protein format
CHEMBL3660151 OBDepict O N HO H NH 2 N N IC50 = 36.0 nM 308.34 N[C@H]1Cc2cn(Cc3cccc4ccccc34)nc2N(O)C1=O Homo sapiens CHEMBL3705555 single protein format
CHEMBL2049093 OBDepict Cl N OH H H 2 N O IC50 = 36.0 nM 212.64 N[C@H]1Cc2cc(Cl)ccc2N(O)C1=O Homo sapiens CHEMBL2050766 single protein format
CHEMBL3660167 OBDepict O N OH H H 2 N N N H 3 C F F F IC50 = 37.0 nM 340.3 Cn1nc2c(c1Cc1ccc(C(F)(F)F)cc1)C[C@H](N)C(=O)N2O Homo sapiens CHEMBL3705555 single protein format
CHEMBL2321943 OBDepict H 3 C O O N HO O H H 2 N IC50 = 37.0 nM 300.31 COc1cc2c(cc1Oc1ccccc1)C[C@H](N)C(=O)N2O Homo sapiens CHEMBL2329110 single protein format
CHEMBL2347110 OBDepict H 3 C O N HO O H H 2 N IC50 = 37.0 nM 298.34 COc1cc2c(cc1Cc1ccccc1)C[C@H](N)C(=O)N2O Homo sapiens CHEMBL2349998 single protein format
CHEMBL2047862 OBDepict CH 3 N OH O H H 2 N IC50 = 37.0 nM 192.22 Cc1ccc2c(c1)N(O)C(=O)[C@@H](N)C2 Homo sapiens CHEMBL2050766 single protein format
CHEMBL3660168 OBDepict O N OH H NH 2 N N F F F IC50 = 38.8 nM 312.25 N[C@H]1Cc2cn(-c3ccccc3C(F)(F)F)nc2N(O)C1=O Homo sapiens CHEMBL3705555 single protein format
CHEMBL2047856 OBDepict O N OH H NH 2 F IC50 = 40.0 nM 196.18 N[C@H]1Cc2cccc(F)c2N(O)C1=O Homo sapiens CHEMBL2050766 single protein format
CHEMBL3660166 OBDepict O N OH H H 2 N N N H 3 C F F F IC50 = 40.7 nM 340.3 Cn1nc2c(c1Cc1ccccc1C(F)(F)F)C[C@H](N)C(=O)N2O Homo sapiens CHEMBL3705555 single protein format
CHEMBL2347109 OBDepict O N OH H NH 2 N N Ki = 41.0 nM 244.25 N[C@H]1Cc2nn(-c3ccccc3)cc2N(O)C1=O Homo sapiens CHEMBL2349998 single protein format
CHEMBL3660165 OBDepict O N OH H H 2 N N N H 3 C F F F IC50 = 42.2 nM 340.3 Cn1nc2c(c1Cc1cccc(C(F)(F)F)c1)C[C@H](N)C(=O)N2O Homo sapiens CHEMBL3705555 single protein format
CHEMBL3660150 OBDepict O N OH H H 2 N N N O F F F IC50 = 43.6 nM 342.28 N[C@H]1Cc2cn(Cc3ccc(OC(F)(F)F)cc3)nc2N(O)C1=O Homo sapiens CHEMBL3705555 single protein format
CHEMBL2049096 OBDepict O N OH H NH 2 F IC50 = 45.0 nM 196.18 N[C@H]1Cc2c(F)cccc2N(O)C1=O Homo sapiens CHEMBL2050766 single protein format
CHEMBL2347107 OBDepict O N OH H H 2 N N N IC50 = 47.0 nM 258.28 N[C@H]1Cc2cn(Cc3ccccc3)nc2N(O)C1=O Homo sapiens CHEMBL2349998 single protein format
CHEMBL2347114 OBDepict O N HO H H 2 N N N F F F Ki = 48.0 nM 326.28 N[C@H]1Cc2c(c(C(F)(F)F)nn2Cc2ccccc2)N(O)C1=O Homo sapiens CHEMBL2349998 single protein format
CHEMBL3660153 OBDepict CH 3 O N N N HO H NH 2 O IC50 = 50.2 nM 288.31 COc1ccccc1Cn1cc2c(n1)N(O)C(=O)[C@@H](N)C2 Homo sapiens CHEMBL3705555 single protein format
CHEMBL3660164 OBDepict O N OH H H 2 N N N H 3 C CH 3 IC50 = 63.0 nM 300.36 CC(C)n1nc2c(c1Cc1ccccc1)C[C@H](N)C(=O)N2O Homo sapiens CHEMBL3705555 single protein format
CHEMBL3686862 OBDepict O N OH H H 2 N N N H 3 C IC50 = 63.7 nM 272.31 Cn1nc2c(c1Cc1ccccc1)C[C@@H](N)C(=O)N2O Homo sapiens CHEMBL3706077 single protein format
CHEMBL2347112 OBDepict O N HO H NH 2 N H 3 C N IC50 = 64.0 nM 272.31 Cn1nc(Cc2ccccc2)c2c1N(O)C(=O)[C@@H](N)C2 Homo sapiens CHEMBL2349998 single protein format
CHEMBL3220810 OBDepict CH 3 O O N NH 2 N O N H IC50 = 65.0 nM 324.34 COc1cccc(Oc2ccc3c(c2)CC(N)c2n[nH]c(=O)n2-3)c1 Homo sapiens CHEMBL3225763 single protein format
CHEMBL2347113 OBDepict CH 3 O N N H 3 C N H H 2 N HO O IC50 = 66.0 nM 302.33 COc1cccc(Cc2nn(C)c3c2C[C@H](N)C(=O)N3O)c1 Homo sapiens CHEMBL2349998 single protein format
CHEMBL2347114 OBDepict O N HO H H 2 N N N F F F IC50 = 74.0 nM 326.28 N[C@H]1Cc2c(c(C(F)(F)F)nn2Cc2ccccc2)N(O)C1=O Homo sapiens CHEMBL2349998 single protein format
CHEMBL3660170 OBDepict O N OH H NH 2 N N F F F IC50 = 74.7 nM 312.25 N[C@H]1Cc2cn(-c3cccc(C(F)(F)F)c3)nc2N(O)C1=O Homo sapiens CHEMBL3705555 single protein format
CHEMBL3660160 OBDepict O N OH H NH 2 N N IC50 = 81.3 nM 222.25 N[C@H]1Cc2cn(C3CCC3)nc2N(O)C1=O Homo sapiens CHEMBL3705555 single protein format
CHEMBL3220811 OBDepict CH 3 O O N NH 2 N N Ki = 81.5 nM 308.34 COc1cccc(Oc2ccc3c(c2)CC(N)c2nncn2-3)c1 Homo sapiens CHEMBL3225763 single protein format
CHEMBL3660155 OBDepict O N OH H H 2 N N N H 3 C IC50 = 81.6 nM 272.31 Cc1c2c(nn1Cc1ccccc1)N(O)C(=O)[C@@H](N)C2 Homo sapiens CHEMBL3705555 single protein format
CHEMBL3220809 OBDepict H 2 N N N N H O O IC50 = 84.0 nM 294.31 NC1Cc2cc(Oc3ccccc3)ccc2-n2c1n[nH]c2=O Homo sapiens CHEMBL3225763 single protein format
CHEMBL3660158 OBDepict O N NH 2 OH N N IC50 = 85.0 nM 244.25 NC1Cc2nn(-c3ccccc3)cc2N(O)C1=O Homo sapiens CHEMBL3705555 single protein format
CHEMBL2347109 OBDepict O N OH H NH 2 N N IC50 = 85.0 nM 244.25 N[C@H]1Cc2nn(-c3ccccc3)cc2N(O)C1=O Homo sapiens CHEMBL2349998 single protein format
CHEMBL3660152 OBDepict O N HO H NH 2 N N IC50 = 117.0 nM 308.34 N[C@H]1Cc2cn(Cc3ccc4ccccc4c3)nc2N(O)C1=O Homo sapiens CHEMBL3705555 single protein format
CHEMBL3220812 OBDepict NH 2 N N N O IC50 = 122.0 nM 278.31 NC1Cc2cc(Oc3ccccc3)ccc2-n2cnnc21 Homo sapiens CHEMBL3225763 single protein format
CHEMBL3660161 OBDepict O N OH H H 2 N N N CH 3 CH 3 IC50 = 153.0 nM 210.24 CC(C)n1cc2c(n1)N(O)C(=O)[C@@H](N)C2 Homo sapiens CHEMBL3705555 single protein format
CHEMBL2047860 OBDepict O N OH H NH 2 F F F IC50 = 174.0 nM 246.19 N[C@H]1Cc2cccc(C(F)(F)F)c2N(O)C1=O Homo sapiens CHEMBL2050766 single protein format
CHEMBL2049099 OBDepict CH 3 O N H H 2 N OH O IC50 = 179.0 nM 208.22 COc1cccc2c1C[C@H](N)C(=O)N2O Homo sapiens CHEMBL2050766 single protein format
CHEMBL3660156 OBDepict O N OH H H 2 N N N IC50 = 182.0 nM 258.28 N[C@H]1Cc2nn(Cc3ccccc3)cc2N(O)C1=O Homo sapiens CHEMBL3705555 single protein format
CHEMBL3220811 OBDepict CH 3 O O N NH 2 N N IC50 = 201.0 nM 308.34 COc1cccc(Oc2ccc3c(c2)CC(N)c2nncn2-3)c1 Homo sapiens CHEMBL3225763 single protein format
CHEMBL2047852 OBDepict OH N O H H 2 N IC50 = 219.0 nM 178.19 N[C@@H]1Cc2ccccc2N(O)C1=O Homo sapiens CHEMBL2050766 single protein format
CHEMBL2047858 OBDepict O N OH H NH 2 Cl IC50 = 252.0 nM 212.64 N[C@H]1Cc2cccc(Cl)c2N(O)C1=O Homo sapiens CHEMBL2050766 single protein format
CHEMBL2049098 OBDepict O N OH H H 2 N CH 3 IC50 = 319.0 nM 192.22 Cc1cccc2c1C[C@H](N)C(=O)N2O Homo sapiens CHEMBL2050766 single protein format
CHEMBL2347111 OBDepict O N OH H H 2 N N CH 3 N IC50 = 329.0 nM 182.18 Cn1ncc2c1N(O)C(=O)[C@@H](N)C2 Homo sapiens CHEMBL2349998 single protein format
CHEMBL2049097 OBDepict O N OH H NH 2 Cl IC50 = 349.0 nM 212.64 N[C@H]1Cc2c(Cl)cccc2N(O)C1=O Homo sapiens CHEMBL2050766 single protein format
CHEMBL3660162 OBDepict CH 3 O N N CH 3 N H NH 2 OH O IC50 = 440.0 nM 302.33 COc1ccc(Cc2nn(C)c3c2C[C@H](N)C(=O)N3O)cc1 Homo sapiens CHEMBL3705555 single protein format
CHEMBL2047857 OBDepict H 3 C O N OH O H NH 2 IC50 = 572.0 nM 208.22 COc1cccc2c1N(O)C(=O)[C@@H](N)C2 Homo sapiens CHEMBL2050766 single protein format
CHEMBL4636981 OBDepict CH 3 H 3 C N O N N H O Cl H 3 C IC50 = 810.0 nM 405.97 Cc1ccc(NC(=O)N2CCCC3(CCC(=O)N(CCC(C)C)C3)C2)cc1Cl Homo sapiens CHEMBL4628474 single protein format
CHEMBL1215659 OBDepict H 2 N N N F O N O H CH 3 O OH IC50 = 1000.0 nM 362.36 C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 Homo sapiens CHEMBL1219089 tissue-based format