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P56192 | SYMC_HUMAN | "Methionine--tRNA ligase, cytoplasmic" (MARS1)

3D structures mapped by conservation among orthologs

[ Domain: "Glutathione S-transferase (GST)-C" // GST_C_3_2 ]

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[ Domain: "S15/NS1 RNA-binding domain" // WHEP-TRS ]

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[ 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
CHEMBL304237 OBDepict Br Br HN N H N H N OH IC50 = 1.0 nM 506.24 Oc1cc(NCCCNC2CCNc3c(Br)cc(Br)cc32)nc2ccccc12 Homo sapiens CHEMBL718948 single protein format
CHEMBL1163059 OBDepict H 3 C S NH 2 H HN O S O O O H O H OH H N H HO N N N H 2 N IC50 = 7.0 nM 477.53 CSCC[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 CHEMBL718947 single protein format
CHEMBL58615 OBDepict CH 3 I N H NH HN N H O IC50 = 12.0 nM 502.4 CCc1cc(I)c2c(c1)C(NCCCNc1cc(=O)c3ccccc3[nH]1)CCN2 Homo sapiens CHEMBL718949 single protein format
CHEMBL55652 OBDepict H 3 C N N H O O HN O H Cl O NH 2 Cl OH IC50 = 18.0 nM 531.4 CC/C(=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Homo sapiens CHEMBL878198 single protein format
CHEMBL56582 OBDepict CH 3 N N H O O N H O H Cl O NH 2 Cl OH IC50 = 40.0 nM 545.42 CCC/C(=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Homo sapiens CHEMBL878198 single protein format
CHEMBL57382 OBDepict HO N H H O NH 2 O H N N O O Cl Cl IC50 = 70.0 nM 503.34 NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCN1/C=C1N=C(c2ccc(Cl)cc2Cl)OC1=O Homo sapiens CHEMBL878198 single protein format
CHEMBL59204 OBDepict CH 3 N N H O O HN O H O NH 2 Br OH IC50 = 87.0 nM 555.43 CCC/C(=C1/N=C(c2ccc(Br)cc2)OC1=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Homo sapiens CHEMBL878198 single protein format
CHEMBL72005 OBDepict Cl Cl N N N N N N N IC50 = 130.0 nM 434.29 Clc1ccc(-c2ccc(-c3cc(-n4cnnn4)nn3-c3cccnc3)cc2)c(Cl)c1 Homo sapiens CHEMBL718950 single protein format
CHEMBL307342 OBDepict Cl Cl N N N H O N N N N N H IC50 = 130.0 nM 491.34 O=C(NCc1nn[nH]n1)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2cccnc2)n1 Homo sapiens CHEMBL806984 single protein format
CHEMBL308349 OBDepict Cl Cl N N N N N N N IC50 = 150.0 nM 434.29 Clc1ccc(-c2ccc(-c3cc(-n4cnnn4)nn3-c3ccccn3)cc2)c(Cl)c1 Homo sapiens CHEMBL718950 single protein format
CHEMBL431521 OBDepict H 3 C N N H O O HN O H Cl O NH 2 Cl OH IC50 = 170.0 nM 559.45 CCC/C(=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Homo sapiens CHEMBL878198 single protein format
CHEMBL59259 OBDepict H 3 C N N H O O N H O H O NH 2 Br OH IC50 = 170.0 nM 541.4 CC/C(=C1/N=C(c2ccc(Br)cc2)OC1=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Homo sapiens CHEMBL878198 single protein format
CHEMBL57816 OBDepict CH 3 N N H O O N H O H Cl O H 2 N Cl HO IC50 = 180.0 nM 545.42 CC/C(=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Homo sapiens CHEMBL878198 single protein format
CHEMBL74224 OBDepict HO O N H O N N N Cl Cl IC50 = 300.0 nM 467.31 O=C(O)CNC(=O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2cccnc2)n1 Homo sapiens CHEMBL806984 single protein format
CHEMBL307660 OBDepict Cl Cl N N O HO N IC50 = 300.0 nM 410.26 O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2cccnc2)n1 Homo sapiens CHEMBL806984 single protein format
CHEMBL293288 OBDepict HO N H H O NH 2 O H N H 3 C N O O Cl Cl IC50 = 340.0 nM 531.4 C/C(=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Homo sapiens CHEMBL878198 single protein format
CHEMBL410312 OBDepict HO N H H O NH 2 O H N N O O Cl Cl IC50 = 430.0 nM 593.47 NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1/C(=C1N=C(c2ccc(Cl)cc2Cl)OC1=O)c1ccccc1 Homo sapiens CHEMBL878198 single protein format
CHEMBL60402 OBDepict Cl Cl N H N H N H O IC50 = 500.0 nM 376.29 O=c1cc(NCCCNCc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 Homo sapiens CHEMBL718948 single protein format
CHEMBL308309 OBDepict Cl Cl N N O HO N IC50 = 500.0 nM 424.29 O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(Cc2ccncc2)n1 Homo sapiens CHEMBL718950 single protein format
CHEMBL292003 OBDepict HO N H H O NH 2 O H N N O O Br IC50 = 510.0 nM 513.35 NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCN1/C=C1N=C(c2ccc(Br)cc2)OC1=O Homo sapiens CHEMBL878198 single protein format
CHEMBL304562 OBDepict CH 3 O N N N N N N Cl Cl IC50 = 530.0 nM 463.33 COc1ccccc1-n1nc(-n2cnnn2)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1 Homo sapiens CHEMBL806984 single protein format
CHEMBL302471 OBDepict Cl Cl N N N O HO IC50 = 630.0 nM 410.26 O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1 Homo sapiens CHEMBL806984 single protein format
CHEMBL304618 OBDepict Cl Cl N N O HO N IC50 = 660.0 nM 424.29 O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(Cc2cccnc2)n1 Homo sapiens CHEMBL718950 single protein format
CHEMBL56024 OBDepict HO HN H O H 2 N O H N N O O Cl Cl IC50 = 680.0 nM 517.37 NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1/C=C1N=C(c2ccc(Cl)cc2Cl)OC1=O Homo sapiens CHEMBL878198 single protein format
CHEMBL292230 OBDepict CH 3 N N H O O NH O H O H 2 N Br HO IC50 = 760.0 nM 569.46 CCC/C(=C1/N=C(c2ccc(Br)cc2)OC1=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Homo sapiens CHEMBL878198 single protein format
CHEMBL55894 OBDepict H 3 C N N H O O N H O H O NH 2 Br OH IC50 = 850.0 nM 555.43 CC/C(=C1/N=C(c2ccc(Br)cc2)OC1=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Homo sapiens CHEMBL878198 single protein format
CHEMBL73305 OBDepict Cl Cl N N O HO N IC50 = 910.0 nM 424.29 O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)nn1Cc1ccncc1 Homo sapiens CHEMBL718950 single protein format