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Q15046 | SYK_HUMAN | Lysine--tRNA ligase (KARS1)

3D structures mapped by conservation among orthologs

[ Domain: "Nucleic acid-binding proteins" // tRNA_anti-codon ]

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[ Domain: "Class II aaRS and biotin synthetases" // tRNA-synt_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
CHEMBL2069346 OBDepict F F F N HN N N NH IC50 = 0.6 nM 399.42 FC(F)(F)c1ccnc(Nc2cccc(-c3cccc(N4CCNCC4)c3)n2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL2069345 OBDepict F F F N HN N N N NH IC50 = 1.8 nM 400.41 FC(F)(F)c1ccnc(Nc2cccc(-c3ccnc(N4CCNCC4)c3)n2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL2069349 OBDepict NH 2 N H N N N N N NH IC50 = 4.0 nM 348.41 Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL2069350 OBDepict H 3 C NH HN N N N N N NH IC50 = 4.0 nM 362.44 CNc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL2069352 OBDepict O NH N H HN N N N N N NH IC50 = 4.0 nM 459.56 O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)C1CCNCC1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL475575 OBDepict CH 3 O N H O CH 3 N HN N O H 2 N N N H H H 2 N IC50 = 4.0 nM 426.48 COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ncnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL981176 single protein format
CHEMBL2069358 OBDepict O HN N N H N N N N N HN IC50 = 4.0 nM 467.54 O=C(Cc1cccnc1)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL2069353 OBDepict O N H N NH N O CH 3 N N N N N H IC50 = 5.0 nM 501.6 CC(=O)N1CCC(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)CC1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL2069355 OBDepict O NH N HN N N N N N NH IC50 = 6.0 nM 453.51 O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1cccnc1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL2069357 OBDepict H 3 C N N CH 3 NH O HN N N N N N NH IC50 = 7.0 nM 470.54 Cc1cc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)n(C)n1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL4286991 OBDepict OH O OH H CH 3 CH 3 CH 3 IC50 = 7.2 nM 316.44 CC(C)c1ccc2c(c1)CC[C@H]1[C@@](CO)(C(=O)O)CCC[C@]21C Homo sapiens CHEMBL4256130 single protein format
CHEMBL2069351 OBDepict OH N H N H N N N N N NH IC50 = 8.0 nM 454.54 Oc1ccc(CNc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)cc1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL2069359 OBDepict O N H NH N O OH N N N N N H IC50 = 8.0 nM 496.53 O=C(O)c1ccc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)cc1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL474582 OBDepict NH 2 HN N N N H N N O NH 2 O O H 3 C CH 3 IC50 = 9.0 nM 372.39 COc1cc(Nc2nc(NCCN)n3cnnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL981176 single protein format
CHEMBL2069356 OBDepict O NH N N HN N N N N N NH IC50 = 9.0 nM 454.5 O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1cncnc1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL475609 OBDepict CH 3 O N H O CH 3 N HN N O H 2 N N N H H H 2 N IC50 = 9.0 nM 426.48 COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3cnnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL981176 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 9.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL981176 single protein format
CHEMBL2069360 OBDepict O NH N HN N O OH N N N N NH IC50 = 10.0 nM 497.52 O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1ccc(C(=O)O)nc1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL4293812 OBDepict CH 3 O O O OH H CH 3 CH 2 CH 3 IC50 = 10.7 nM 356.46 C=C(C)c1ccc2c(c1)CC[C@H]1[C@](CC(=O)OC)(C(=O)O)CCC[C@]21C Homo sapiens CHEMBL4256130 single protein format
CHEMBL2069341 OBDepict CH 3 N HN N N N NH IC50 = 14.0 nM 346.44 Cc1ccnc(Nc2cccc(-c3ccnc(N4CCNCC4)c3)n2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL4292650 OBDepict CH 3 O O O OH H H 3 C CH 3 H 3 C IC50 = 22.4 nM 358.48 COC(=O)C[C@@]1(C(=O)O)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 Homo sapiens CHEMBL4256130 single protein format
CHEMBL2069344 OBDepict CH 3 N HN N N N N H IC50 = 27.0 nM 360.47 Cc1ccnc(Nc2cccc(-c3ccnc(N4CCCNCC4)c3)n2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL12850 OBDepict HO O CH 3 H CH 3 CH 3 CH 3 IC50 = 27.7 nM 300.44 CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O Homo sapiens CHEMBL4256130 single protein format
CHEMBL2069354 OBDepict O NH HN N N N N N NH IC50 = 28.0 nM 452.52 O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1ccccc1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL282342 OBDepict H 2 N HN N N N CH 3 H 3 C IC50 = 34.0 nM 335.46 CN(C)c1ccc(-c2cc3ncccc3c(NCCCCN)n2)cc1 Homo sapiens CHEMBL1025770 single protein format
CHEMBL1277662 OBDepict O CH 3 H CH 3 OH CH 3 CH 3 IC50 = 34.1 nM 300.44 CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C=O)[C@@H]1CC2 Homo sapiens CHEMBL4256130 single protein format
CHEMBL471901 OBDepict H 2 N HN N N N H O H 2 N F F F IC50 = 41.0 nM 340.31 NCCNc1ncc(C(N)=O)c(Nc2cccc(C(F)(F)F)c2)n1 Homo sapiens CHEMBL981176 single protein format
CHEMBL2069348 OBDepict NH N N NH N N IC50 = 43.0 nM 332.41 c1cc(-c2cccc(Nc3cnccn3)n2)cc(N2CCNCC2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL12799 OBDepict HO CH 3 H CH 3 CH 3 CH 3 IC50 = 46.4 nM 286.46 CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CO Homo sapiens CHEMBL4256130 single protein format
CHEMBL598566 OBDepict HO O CH 3 H CH 3 OH CH 3 CH 3 IC50 = 49.1 nM 316.44 CC(C)(O)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O Homo sapiens CHEMBL4256130 single protein format
CHEMBL472840 OBDepict CH 3 O N H O CH 3 N HN N O H 2 N N N H H H 2 N Cl IC50 = 50.0 nM 537.02 COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3nc(-c4ccccc4Cl)nc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL981176 single protein format
CHEMBL2069347 OBDepict NH N N N N H N N IC50 = 62.0 nM 333.4 c1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL2323633 OBDepict CH 3 O O N H CH 3 N N N N S HN O N O HO IC50 = 65.0 nM 535.59 COc1ccc(Nc2nc(N3CCCC(C(=O)Nc4ccc(C(=O)O)nc4)C3)nc3scnc23)cc1OC Homo sapiens CHEMBL2329347 cell-based format
CHEMBL2323635 OBDepict CH 3 HN O NH O N N N H S N O O H 3 C CH 3 IC50 = 71.0 nM 540.61 CNC(=O)c1ccc(NC(=O)c2cccc(-c3nc(Nc4ccc(OC)c(OC)c4)c4ncsc4n3)c2)cc1 Homo sapiens CHEMBL2329347 cell-based format
CHEMBL2323632 OBDepict CH 3 O O N H CH 3 N N N N S NH O OH O HO IC50 = 71.0 nM 550.6 COc1ccc(Nc2nc(N3CCCC(C(=O)Nc4ccc(C(=O)O)c(O)c4)C3)nc3scnc23)cc1OC Homo sapiens CHEMBL2329347 cell-based format
CHEMBL2323631 OBDepict CH 3 O O N H CH 3 N N N S OH IC50 = 79.0 nM 394.46 COc1ccc(Nc2nc(-c3cccc(CO)c3)nc3scnc23)cc1OC Homo sapiens CHEMBL2329347 cell-based format
CHEMBL478642 OBDepict CH 3 O N H O CH 3 N HN N O H 2 N N N H H H 2 N IC50 = 83.0 nM 502.58 COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3nc(-c4ccccc4)nc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL981176 single protein format
CHEMBL4279751 OBDepict OH O OH H CH 3 CH 2 CH 3 IC50 = 85.3 nM 314.43 C=C(C)c1ccc2c(c1)CC[C@H]1[C@@](CO)(C(=O)O)CCC[C@]21C Homo sapiens CHEMBL4256130 single protein format
CHEMBL2069337 OBDepict NH 2 NH N N H N CH 3 IC50 = 91.0 nM 319.41 Cc1ccnc(Nc2cccc(-c3cccc(NCCN)c3)n2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL2069343 OBDepict NH 2 N N N HN N CH 3 IC50 = 114.0 nM 360.47 Cc1ccnc(Nc2cccc(-c3ccnc(N4CCC(N)CC4)c3)n2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL475882 OBDepict H 3 C O O N H H 3 C N NH N O NH 2 N N H H NH 2 O CH 3 IC50 = 120.0 nM 532.61 COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3nc(-c4cccc(OC)c4)nc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL981176 single protein format
CHEMBL4590082 OBDepict N N O O N CH 3 N N H N O IC50 = 140.2 nM 458.52 Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1-c1cc2c(o1)CCN(C(=O)CC#N)C2 Homo sapiens CHEMBL4341348 single protein format
CHEMBL476741 OBDepict CH 3 O N H O H 3 C N NH N O NH 2 N N NH 2 H 3 C H 3 C IC50 = 150.0 nM 400.44 COc1cc(Nc2nc(NCC(C)(C)N)n3cnnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL981176 single protein format
CHEMBL2069340 OBDepict NH 2 N N H N CH 3 IC50 = 160.0 nM 304.4 Cc1ccnc(Nc2cccc(-c3cccc(CCN)c3)n2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL2069336 OBDepict NH 2 NH N N N H N CH 3 IC50 = 200.0 nM 320.4 Cc1ccnc(Nc2cccc(-c3ccnc(NCCN)c3)n2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL1835870 OBDepict NH 2 N N N N H N H H N O Ki = 220.0 nM 419.53 Nc1nc(Nc2ccc([C@H]3CC[C@H](N4CCOCC4)CC3)cc2)nn1-c1ccccn1 Homo sapiens CHEMBL1958987 single protein format
CHEMBL482175 OBDepict NH 2 HN N N N H N O NH 2 O O H 3 C CH 3 IC50 = 230.0 nM 371.4 COc1cc(Nc2nc(NCCN)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020473 cell-based format
CHEMBL2069342 OBDepict NH 2 N N N NH N CH 3 IC50 = 450.0 nM 346.44 Cc1ccnc(Nc2cccc(-c3ccnc(N4CCC(N)C4)c3)n2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL2069334 OBDepict NH 2 HN N N N H N CH 3 IC50 = 528.0 nM 334.43 Cc1ccnc(Nc2cccc(-c3ccnc(NCCCN)c3)n2)c1 Homo sapiens CHEMBL2072026 single protein format
CHEMBL511829 OBDepict CH 3 O NH O CH 3 N N H N O NH 2 N O HO IC50 = 690.0 nM 488.5 COc1cc(Nc2nc(NCc3ccc(/C=C/C(=O)O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020473 cell-based format
CHEMBL2178352 OBDepict CH 3 N N N H N N N N N H IC50 = 720.0 nM 468.61 CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccccc5)n(C5CCCC5)c4n3)cc2)CC1 Homo sapiens CHEMBL2183201 single protein format
CHEMBL479820 OBDepict CH 3 O HN O CH 3 N N H N O NH 2 N O OH IC50 = 760.0 nM 476.49 COc1cc(Nc2nc(NCc3ccc(CC(=O)O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020473 cell-based format