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O95352 | ATG7_HUMAN | Ubiquitin-like modifier-activating enzyme ATG7 (ATG7)

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
CHEMBL4577235 OBDepict H 3 C S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 14.0 nM 392.42 CSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 Homo sapiens CHEMBL4730108 single protein format
CHEMBL4464238 OBDepict H N N S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 16.0 nM 444.46 Nc1ncnc2c1c(Sc1cn[nH]c1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4730108 single protein format
CHEMBL4554226 OBDepict CH 3 S H 3 C N N NH 2 N N H O H OH H H HO O S O O H 2 N IC50 = 17.0 nM 420.47 CC(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 Homo sapiens CHEMBL4730108 single protein format
CHEMBL4543856 OBDepict CH 3 S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 18.0 nM 468.52 Cc1cccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c1 Homo sapiens CHEMBL4730108 single protein format
CHEMBL4453903 OBDepict H 3 C N N S N N NH 2 N N H O H OH H H HO O S O O H 2 N IC50 = 20.0 nM 458.48 Cn1cc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)cn1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4473245 OBDepict F S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 486.51 Nc1ncnc2c1c(SCc1ccc(F)cc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4471670 OBDepict Cl S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 488.94 Nc1ncnc2c1c(Sc1ccc(Cl)cc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4462958 OBDepict CH 3 N S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 < 20.0 nM 471.5 Cc1ccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)nc1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4551253 OBDepict HC S N N NH 2 N N H O H OH H H HO O S O O H 2 N IC50 = 20.0 nM 416.44 C#CCSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4439106 OBDepict Cl O S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 492.92 Nc1ncnc2c1c(SCc1ccc(Cl)o1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4451885 OBDepict H 3 C H 3 C S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 434.5 CC(C)CSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4476015 OBDepict Cl S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 488.94 Nc1ncnc2c1c(Sc1ccccc1Cl)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4577562 OBDepict NH 2 N N S N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 454.49 Nc1ncnc2c1c(Sc1ccccc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4579107 OBDepict NH 2 N N S N N H O F F F H OH H H HO O S O O NH 2 IC50 = 20.0 nM 460.42 Nc1ncnc2c1c(SCC(F)(F)F)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4535927 OBDepict F S F N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 428.4 Nc1ncnc2c1c(SC(F)F)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4521754 OBDepict NH 2 N N S N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 482.54 Nc1ncnc2c1c(SCCc1ccccc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4434940 OBDepict N S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 431.46 N#CCCSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4531796 OBDepict NH 2 N N S N N H O H OH N H H HO O S O O NH 2 IC50 = 20.0 nM 455.48 Nc1ncnc2c1c(Sc1ccncc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4449861 OBDepict NH 2 N N S N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 472.55 Nc1ncnc2c1c(SCC1=CCCCC1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4529186 OBDepict CH 3 S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 482.54 Cc1ccc(CSc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)cc1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4517771 OBDepict CH 3 O S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 498.54 COc1ccc(CSc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)cc1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4549926 OBDepict H 2 N N N S N N N H O H H OH O S O O NH 2 IC50 = 20.0 nM 439.48 Nc1ncnc2c1c(Sc1ccccn1)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4469589 OBDepict CH 3 O S N N NH 2 N N H O H H HO O S O O NH 2 IC50 = 20.0 nM 468.52 COc1cccc(Sc2nn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)O3)c3ncnc(N)c23)c1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4469119 OBDepict CH 3 S N N NH 2 N N H O H H HO O S O O NH 2 IC50 = 20.0 nM 376.42 CSc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4575995 OBDepict NH 2 N N S N N H O H H HO O O S O O NH 2 IC50 = 20.0 nM 480.53 Nc1ncnc2c1c(Sc1ccc3c(c1)CCO3)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4444895 OBDepict NH 2 N N S N N H O O H H HO O O S O O NH 2 IC50 = 20.0 nM 496.53 Nc1ncnc2c1c(Sc1ccc3c(c1)OCCO3)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4468221 OBDepict CH 3 S CH 3 N N NH 2 N N H O H H OH O S O O H 2 N IC50 = 20.0 nM 404.47 CC(C)Sc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4589617 OBDepict CH 3 O F S N N NH 2 N N H O H H HO O S O O NH 2 IC50 = 20.0 nM 486.51 COc1ccc(Sc2nn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)O3)c3ncnc(N)c23)c(F)c1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4539628 OBDepict NH 2 N N N S N CH 3 CH 3 H 3 C H O H H HO O S O O NH 2 IC50 = 20.0 nM 418.5 CC(C)(C)Sc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4476516 OBDepict H 2 N N N S N N N S H O H H OH O S O O NH 2 IC50 = 20.0 nM 445.51 Nc1ncnc2c1c(Sc1nccs1)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4451742 OBDepict CH 3 O S F N N NH 2 N N H O H H HO O S O O NH 2 IC50 = 20.0 nM 486.51 COc1ccc(F)c(Sc2nn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)O3)c3ncnc(N)c23)c1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4532634 OBDepict CH 3 S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 482.54 Cc1ccccc1CSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4517065 OBDepict NH 2 N N S N N H O O H H HO O S O O NH 2 IC50 = 20.0 nM 480.53 Nc1ncnc2c1c(Sc1ccc3c(c1)OCC3)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4471539 OBDepict NH 2 N N S N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 470.51 Nc1ncnc2c1c(SCc1ccccc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4586196 OBDepict OH S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 424.44 Nc1ncnc2c1c(SCCO)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4475447 OBDepict N S H 3 C N N NH 2 N N H O H F H H HO O S O O H 2 N IC50 = 20.0 nM 433.45 CC(C#N)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4450880 OBDepict N N N NH 2 N N H O H OH H H HO O S O O H 2 N IC50 = 20.0 nM 371.34 N#Cc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4443829 OBDepict Cl S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 < 20.0 nM 488.94 Nc1ncnc2c1c(Sc1cccc(Cl)c1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4542158 OBDepict F O F N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 412.33 Nc1ncnc2c1c(OC(F)F)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4436997 OBDepict CH 3 S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 482.54 Cc1cccc(CSc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4551395 OBDepict NH 2 N N S N N H O H OH H H HO O O S O O NH 2 F F F IC50 = 20.0 nM 552.51 Nc1ncnc2c1c(SCc1ccc(OC(F)(F)F)cc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4545152 OBDepict NH 2 N N S N N H O H OH H H HO O S F F F O O NH 2 IC50 = 20.0 nM 536.51 Nc1ncnc2c1c(SCc1ccc(C(F)(F)F)cc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4574054 OBDepict H 3 C O S N N NH 2 N N H O H OH H H HO O S O O H 2 N IC50 = 20.0 nM 436.47 COCCSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4589191 OBDepict CH 3 S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 448.5 CC(Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12)C1CC1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4589701 OBDepict F S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 486.51 Nc1ncnc2c1c(SCc1cccc(F)c1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4543586 OBDepict NH 2 N N S N N H O H F H H HO O S O O H 2 N IC50 < 20.0 nM 448.5 Nc1ncnc2c1c(SCC1CCC1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4465490 OBDepict HO S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 462.51 Nc1ncnc2c1c(SC1CCCC1O)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4437694 OBDepict NH 2 N N N S N CH 3 CH 3 H 3 C H O H F H H HO O S O O H 2 N IC50 < 20.0 nM 436.49 CC(C)(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4449596 OBDepict H 3 C S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 394.41 CSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4483085 OBDepict F S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 474.47 Nc1ncnc2c1c(Sc1cccc(F)c1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4467807 OBDepict NH 2 N N S N N N H O H F H H HO F F F O S O O NH 2 IC50 = 20.0 nM 525.47 Nc1ncnc2c1c(Sc1cc(C(F)(F)F)ccn1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4593454 OBDepict NH 2 N N S N N H O H OH H H HO O S O O H 2 N IC50 < 20.0 nM 418.46 Nc1ncnc2c1c(SC1CC1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4557469 OBDepict NH 2 N N S N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 462.53 Nc1ncnc2c1c(SC1CCCCC1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4558671 OBDepict H 3 C S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 448.5 CC1CC1CSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4452757 OBDepict NH 2 N N S N N H O O H F H H HO O S O O NH 2 IC50 = 20.0 nM 450.47 Nc1ncnc2c1c(SC1CCOC1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4455332 OBDepict NH 2 N N S N N H O H OH N H H HO O S O O NH 2 IC50 = 20.0 nM 469.51 Nc1ncnc2c1c(SCc1cccnc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4447381 OBDepict CH 3 S H 3 C N N NH 2 N N H O H F H H HO O S O O H 2 N IC50 = 20.0 nM 422.46 CC(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4521749 OBDepict NH 2 N N I N N H O H OH H H HO O S O O NH 2 IC50 < 20.0 nM 472.22 Nc1ncnc2c1c(I)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4441919 OBDepict NH 2 N N S N N H O H OH H H HO O S O O NH 2 IC50 < 20.0 nM 446.51 Nc1ncnc2c1c(SC1CCCC1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4585930 OBDepict NH 2 N N S N N H O H OH H H HO O S O O H 2 N IC50 < 20.0 nM 432.48 Nc1ncnc2c1c(SC1CCC1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4518410 OBDepict N N S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 482.48 N#Cc1ccnc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)c1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4537063 OBDepict NH 2 N N S N N H O H F F F H H HO O S O O NH 2 IC50 = 20.0 nM 470.46 Nc1ncnc2c1c(SCC1CC1(F)F)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4473356 OBDepict Cl S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 490.93 Nc1ncnc2c1c(Sc1ccc(Cl)cc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4581202 OBDepict NH 2 N N S N N H O H OH H H HO O S O O NH 2 IC50 < 20.0 nM 432.48 Nc1ncnc2c1c(SCC1CC1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4436348 OBDepict NH 2 N N S N N H O H F H H HO O S O O H 2 N IC50 < 20.0 nM 434.48 Nc1ncnc2c1c(SC1CCC1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4526319 OBDepict NH 2 N N S N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 434.48 Nc1ncnc2c1c(SCC1CC1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4586427 OBDepict H 3 C S N N NH 2 N N H O H OH H H HO O S O O H 2 N IC50 = 20.0 nM 406.45 CCSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4543610 OBDepict CH 3 N N S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 460.47 Cn1cnc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)c1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4518269 OBDepict F S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 474.47 Nc1ncnc2c1c(Sc1ccc(F)cc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4457043 OBDepict HO S H 3 C N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 438.46 CC(CO)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4464322 OBDepict CH 3 S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 470.51 Cc1cccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)c1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4456716 OBDepict H 3 C S H 3 C N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 436.49 CCC(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4521332 OBDepict NH 2 N N S N N H O H F H H HO O S O O NH 2 IC50 < 20.0 nM 448.5 Nc1ncnc2c1c(SC1CCCC1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4470138 OBDepict CH 3 S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 < 20.0 nM 468.52 Cc1ccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)cc1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4453756 OBDepict NH 2 N N S N N N H O H F H H HO O S O O NH 2 IC50 < 20.0 nM 457.47 Nc1ncnc2c1c(Sc1ccccn1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4557103 OBDepict Cl S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 490.93 Nc1ncnc2c1c(Sc1cccc(Cl)c1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4527646 OBDepict NH 2 N N S N N H O H F H H HO F F O S O O H 2 N IC50 = 20.0 nM 484.48 Nc1ncnc2c1c(SCC1CC(F)(F)C1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4476094 OBDepict NH 2 N N S N N H O H OH H H HO O S O O NH 2 IC50 = 20.0 nM 468.52 Nc1ncnc2c1c(SCc1ccccc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4466430 OBDepict Cl N S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 491.91 Nc1ncnc2c1c(Sc1ccc(Cl)cn1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4546984 OBDepict F S F N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 430.39 Nc1ncnc2c1c(SC(F)F)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4463921 OBDepict OH S N N NH 2 N N H O H OH H H HO O S O O NH 2 IC50 < 20.0 nM 422.45 Nc1ncnc2c1c(SCCO)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4576658 OBDepict F S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 474.47 Nc1ncnc2c1c(Sc1ccccc1F)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4454053 OBDepict H 3 C N N S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 474.5 Cn1cc(CSc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)cn1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4471077 OBDepict NH 2 N N S N N N H O H F H H HO + N O O _ O S O O NH 2 IC50 = 20.0 nM 502.47 Nc1ncnc2c1c(Sc1ccc([N+](=O)[O-])cn1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4550475 OBDepict F O F N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 = 20.0 nM 414.32 Nc1ncnc2c1c(OC(F)F)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4454503 OBDepict CH 3 N S N N NH 2 N N H O H F H H HO O S O O NH 2 IC50 < 20.0 nM 471.5 Cc1ccnc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)c1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4539952 OBDepict NH 2 N N N S N CH 3 CH 3 H 3 C H O H OH H H HO O S O O H 2 N IC50 = 20.0 nM 434.5 CC(C)(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4548069 OBDepict NH 2 N N S N N H O N H OH H H HO O S O O NH 2 IC50 = 20.0 nM 469.51 Nc1ncnc2c1c(SCc1ccccn1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4418462 single protein format
CHEMBL4571952 OBDepict NH 2 N N S N N H O N H F H H HO O S O O NH 2 IC50 = 50.0 nM 457.47 Nc1ncnc2c1c(Sc1cccnc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4540014 OBDepict CH 3 O CH 3 S N N NH 2 N N H O H H HO O S O O NH 2 IC50 = 50.0 nM 496.57 CC(C)Oc1ccc(Sc2nn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)O3)c3ncnc(N)c23)cc1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4474856 OBDepict CH 3 N O S N N NH 2 N N H O H H OH O S O O H 2 N IC50 = 50.0 nM 507.55 CN1C(=O)Cc2cc(Sc3nn([C@H]4C[C@H](O)[C@@H](COS(N)(=O)=O)O4)c4ncnc(N)c34)ccc21 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4449184 OBDepict NH 2 N N S N N N H O H F H H HO O F F F S O O NH 2 IC50 = 50.0 nM 525.47 Nc1ncnc2c1c(Sc1ccc(C(F)(F)F)cn1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4560446 OBDepict NH 2 N N S N N H O H H HO O S O O NH 2 IC50 = 50.0 nM 416.49 Nc1ncnc2c1c(SCC1CC1)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4525414 OBDepict F S N N NH 2 N N H O H H HO O S O O NH 2 IC50 = 50.0 nM 496.55 Nc1ncnc2c1c(Sc1cc3c(cc1F)CCC3)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4462912 OBDepict NH 2 N N N S N F F F H O H F H H HO O S O O NH 2 IC50 = 50.0 nM 448.38 Nc1ncnc2c1c(SC(F)(F)F)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4418462 single protein format
CHEMBL4529005 OBDepict NH 2 N N S N N H O H H HO O S O O NH 2 IC50 = 50.0 nM 402.46 Nc1ncnc2c1c(SC1CC1)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4462510 OBDepict F S N N H 2 N N N H O H H OH O S O O NH 2 IC50 = 50.0 nM 456.48 Nc1ncnc2c1c(Sc1ccc(F)cc1)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4460812 OBDepict NH 2 N N S N N H O O H H HO O O S O O NH 2 IC50 = 50.0 nM 482.5 Nc1ncnc2c1c(Sc1ccc3c(c1)OCO3)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4457956 OBDepict Cl N S N N H 2 N N N H O H H OH O S O O NH 2 IC50 = 50.0 nM 473.92 Nc1ncnc2c1c(Sc1ccc(Cl)cn1)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 Homo sapiens CHEMBL4418462 single protein format
CHEMBL4520821 OBDepict H 3 C S N N NH 2 N N H O H H HO O S O O NH 2 IC50 = 50.0 nM 390.45 CCSc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12 Homo sapiens CHEMBL4418462 single protein format