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P41252 | SYIC_HUMAN | "Isoleucine--tRNA ligase, cytoplasmic" (IARS1)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL719 OBDepict OH O O O CH 3 H O H OH H HO H H O H H 3 C H OH H 3 C H IC50 = 0.8 nM 500.63 C/C(=CC(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL696842 single protein format
CHEMBL605376 OBDepict CH 3 CH 3 H NH 2 H HN O S O O O H O H OH N H HO N N I N H 2 N IC50 = 14.0 nM 585.38 CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC(n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL696843 single protein format
CHEMBL125075 OBDepict CH 3 CH 3 NH 2 H HN O S O O O H O H OH H H HO S N O H 3 C IC50 = 15.0 nM 515.61 CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3cccc(OC)c3)cs2)[C@H](O)[C@@H]1O Homo sapiens CHEMBL696841 single protein format
CHEMBL340359 OBDepict CH 3 H 3 C NH 2 H HN O S O O O H O H OH H H HO S N O H 3 C IC50 = 20.0 nM 565.67 CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3ccc4cc(OC)ccc4c3)cs2)[C@H](O)[C@@H]1O Homo sapiens CHEMBL696841 single protein format
CHEMBL538163 OBDepict CH 3 CH 3 NH 2 H HN O S O O O H O H OH H H HO S N O H 3 C IC50 = 30.0 nM 515.61 CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3ccccc3OC)cs2)[C@H](O)[C@@H]1O Homo sapiens CHEMBL696841 single protein format
CHEMBL125820 OBDepict H 3 C CH 3 NH 2 H HN O S O O O H O H OH H H HO S N IC50 = 30.0 nM 513.64 CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](c2nc(CCc3ccccc3)cs2)[C@H](O)[C@@H]1O Homo sapiens CHEMBL696841 single protein format
CHEMBL605592 OBDepict CH 3 H 3 C H H 2 N H NH O S O O O H O H OH N H OH N N N NH 2 CH IC50 = 39.0 nM 483.51 C#Cc1nc(N)c2ncn(C3O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)[C@@H](C)CC)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL696843 single protein format
CHEMBL125221 OBDepict CH 3 CH 3 NH 2 H HN O S O O O H O H OH H H HO S N O IC50 = 45.0 nM 577.68 CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)[C@H](O)[C@@H]1O Homo sapiens CHEMBL696841 single protein format
CHEMBL1163069 OBDepict CH 3 H 3 C H NH 2 H HN O S O O O H O H OH H N H HO N N N H 2 N IC50 = 98.0 nM 459.49 CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL696843 single protein format
CHEMBL264002 OBDepict CH 3 H 3 C H NH 2 H HN O S O O O H O H OH H H HO S N IC50 = 100.0 nM 485.58 CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3ccccc3)cs2)[C@H](O)[C@@H]1O Homo sapiens CHEMBL696841 single protein format
CHEMBL94318 OBDepict Cl S HN O O H O H HO H HO H O O O O CH 3 IC50 = 100.0 nM 528.06 COC(=O)CCCCCCCCOC(=O)/C=C/C[C@@H]1OC[C@H](NS(=O)(=O)CCCCl)[C@@H](O)[C@H]1O Homo sapiens CHEMBL696842 single protein format
CHEMBL333001 OBDepict CH 3 O N S H O H HO H H HO O S N H O O O NH 2 H H 3 C CH 3 IC50 = 100.0 nM 515.61 CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3ccc(OC)cc3)cs2)[C@H](O)[C@@H]1O Homo sapiens CHEMBL696841 single protein format
CHEMBL123796 OBDepict CH 3 CH 3 NH 2 H HN O S O O O H O H OH H H HO S N O N IC50 = 120.0 nM 500.56 CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3cc(C#N)co3)cs2)[C@H](O)[C@@H]1O Homo sapiens CHEMBL696841 single protein format
CHEMBL95037 OBDepict CH 3 S NH O O H O H OH H OH H O O O O H 3 C IC50 = 300.0 nM 507.65 CCCCS(=O)(=O)N[C@H]1CO[C@@H](C/C=C/C(=O)OCCCCCCCCC(=O)OC)[C@H](O)[C@@H]1O Homo sapiens CHEMBL696842 single protein format
CHEMBL98732 OBDepict H 3 C O O O O H O H OH H OH H N H S O O Cl IC50 = 300.0 nM 562.08 COC(=O)CCCCCCCCOC(=O)/C=C/C[C@@H]1OC[C@H](NS(=O)(=O)c2cccc(Cl)c2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL696842 single protein format