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Q8TBC4 | UBA3_HUMAN | NEDD8-activating enzyme E1 catalytic subunit (UBA3)

3D structures mapped by conservation among orthologs

[ Domain: "Activating enzymes of the ubiquitin-like proteins" // ThiF_1 ]

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[ Domain: "E2-binding domain of E1" // E2_bind ]

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[ Domain: "Catalytic cysteine domain in ubiquitin-activating enzyme" // UBA_e1_thiolCys ]

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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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1231160 OBDepict NH 2 S O O O H H OH H N N N N H H IC50 = 5.0 nM 443.53 NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O Homo sapiens CHEMBL4222565 assay format
CHEMBL3901326 OBDepict CH 3 N N N N H O H OH H H HO O S O O NH 2 IC50 <= 100.0 nM 345.34 Cc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3919735 OBDepict O N H N N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 465.45 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(CNC(=O)c4cccnc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3986263 OBDepict NH 2 S O O O H O H OH H N N N N N H H IC50 <= 100.0 nM 446.49 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCc5ccccc54)ncnc32)C[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3950816 OBDepict O N H NH N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 465.45 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3893859 OBDepict H 2 N S O O O H O H OH H N H HO N N N IC50 <= 100.0 nM 371.38 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(C4CC4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3915766 OBDepict NH 2 S O O O H H OH H N N N N IC50 <= 100.0 nM 413.46 NS(=O)(=O)OC[C@H]1C[C@@H](n2cnc3c(C#Cc4ccccc4)ncnc32)C[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3913041 OBDepict F F N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 467.41 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(C#Cc4ccc(F)cc4F)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3891074 OBDepict NH 2 S O O O H O H OH H N H HO N N N F F F IC50 <= 100.0 nM 499.43 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(C#Cc4ccccc4C(F)(F)F)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3928849 OBDepict Br N H O N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 529.33 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccc(Br)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3931596 OBDepict NH 2 S O O O H O H OH H N H HO N N N IC50 <= 100.0 nM 461.5 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(CC4Cc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3943794 OBDepict NH 2 S O O H O H OH H N H HO N N N N H IC50 <= 100.0 nM 510.58 NS(=O)(=O)CC[C@H]1O[C@@H](n2cnc3c(NC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3953497 OBDepict F N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 449.42 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(C#Cc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3946462 OBDepict H O O S H N H OH O O NH 2 N N N N H H IC50 <= 100.0 nM 446.49 NS(=O)(=O)OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)O1 Homo sapiens CHEMBL3880799 assay format
CHEMBL3928348 OBDepict CH 3 O H H O N H HO H N N O S N N H O O NH 2 H IC50 <= 100.0 nM 476.52 CO[C@@H]1[C@H](O)[C@@H](COS(N)(=O)=O)O[C@H]1n1cnc2c(N[C@H]3CCc4ccccc43)ncnc21 Homo sapiens CHEMBL3880799 assay format
CHEMBL3931091 OBDepict H 2 N S O O O H O H OH H N H 3 C OH N N N N H H IC50 <= 100.0 nM 476.52 C[C@@]1(O)[C@H](O)[C@@H](COS(N)(=O)=O)O[C@H]1n1cnc2c(N[C@H]3CCc4ccccc43)ncnc21 Homo sapiens CHEMBL3880799 assay format
CHEMBL3890308 OBDepict NH 2 S O O O H O H OH H N H HO N N N N N IC50 <= 100.0 nM 473.47 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(-c4cccc(-n5cccn5)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3893073 OBDepict NH 2 S O O O H O H OH H N H HO N N N F F F IC50 <= 100.0 nM 475.41 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(-c4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3913960 OBDepict NH 2 S O O O CH 3 H H O H HO H N H OH N N N N H H IC50 <= 100.0 nM 476.52 C[C@@H](OS(N)(=O)=O)[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3916707 OBDepict NH 2 S O O O H O H OH H N H HO N N N IC50 <= 100.0 nM 435.46 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(CCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3968001 OBDepict NH 2 S O O O H O H OH H N H F N N N N H H IC50 <= 100.0 nM 464.48 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3977274 OBDepict CH 3 O H H O N H HO H N N O S N N H O O NH 2 H IC50 <= 100.0 nM 476.52 CO[C@H]1[C@H](O)[C@@H](COS(N)(=O)=O)O[C@H]1n1cnc2c(N[C@H]3CCc4ccccc43)ncnc21 Homo sapiens CHEMBL3880799 assay format
CHEMBL3979040 OBDepict NH 2 S N H O O H O H OH H N H HO N N N N H S IC50 <= 100.0 nM 441.5 NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(NCc4cccs4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3936113 OBDepict NH 2 S O O O H O H OH H N H HO N N N IC50 <= 100.0 nM 407.41 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(-c4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3938881 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H O O IC50 <= 100.0 nM 480.46 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc5c(c4)OCO5)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3917934 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H N IC50 <= 100.0 nM 443.49 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCCN4CCCC4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3908159 OBDepict F N H N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 454.44 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL2017005 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H H IC50 <= 100.0 nM 462.49 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3952961 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H H IC50 <= 100.0 nM 462.49 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3895116 OBDepict H 3 C O N H N N N N H O H OH H H HO HN S O O H 2 N IC50 <= 100.0 nM 465.49 COc1cccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c1 Homo sapiens CHEMBL3880799 assay format
CHEMBL3951594 OBDepict NH 2 S O O H O H OH H N H HO N N N N H H H OH IC50 <= 100.0 nM 476.52 NS(=O)(=O)CC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4c5ccccc5C[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3954245 OBDepict NH 2 S O O H O H OH H N H HO N N N N H H IC50 <= 100.0 nM 460.52 NS(=O)(=O)CC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3893298 OBDepict F O F F N H N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 520.45 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(OC(F)(F)F)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3921077 OBDepict NH 2 S N H O O H O H OH H N H HO N N N N H O O IC50 <= 100.0 nM 479.48 NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(NCc4ccc5c(c4)OCO5)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3947832 OBDepict Cl N N N H N N H H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 496.93 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3950456 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H IC50 <= 100.0 nM 486.51 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc5ccccc45)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3973090 OBDepict NH 2 S O O O H O H OH H N H HO N N N IC50 <= 100.0 nM 431.43 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(C#Cc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3975574 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H IC50 <= 100.0 nM 436.45 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3926557 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H IC50 <= 100.0 nM 442.5 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL2017016 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H S IC50 <= 100.0 nM 442.48 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4cccs4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3896228 OBDepict NH 2 S O O O H O H OH H N H HO N N N H H IC50 <= 100.0 nM 461.5 NS(=O)(=O)OC[C@H]1O[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3898932 OBDepict Cl N H N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 470.9 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3943486 OBDepict H 3 C O N H N N N N H O H OH H H HO O S O O H 2 N IC50 <= 100.0 nM 466.48 COc1cccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c1 Homo sapiens CHEMBL3880799 assay format
CHEMBL3940822 OBDepict O N H N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 450.43 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3980386 OBDepict NH 2 S N H O O H O H OH H N H HO N N N N H IC50 <= 100.0 nM 525.59 NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3914271 OBDepict NH 2 S N H O O H O H OH H N H HO N N N N H H H OH IC50 <= 100.0 nM 477.5 NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4c5ccccc5C[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3895716 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H H H OH IC50 <= 100.0 nM 478.49 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4c5ccccc5C[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3932311 OBDepict OH OH H N H N N N N H O H HO H H OH NH S O O NH 2 IC50 <= 100.0 nM 481.49 NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(NC[C@H](O)c4cccc(O)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3929785 OBDepict NH 2 S N H O O H O H OH H N H HO N N N N H H IC50 <= 100.0 nM 461.5 NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3891757 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H IC50 <= 100.0 nM 450.48 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3986810 OBDepict H 2 N N N N H N N H H O H OH H H HO O S O O H 2 N IC50 <= 100.0 nM 477.5 Nc1nc(N[C@H]2CCc3ccccc32)c2ncn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL3880799 assay format
CHEMBL3907637 OBDepict NH 2 S N H O O H O H OH H N H HO N N N N H IC50 <= 100.0 nM 435.47 NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL2017013 OBDepict H 3 C O N H N N N N H O H OH H H HO O S O O NH 2 IC50 <= 100.0 nM 404.41 COCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3901052 OBDepict H 3 C N N N H N N N N H O H OH H H HO O S O O H 2 N IC50 <= 100.0 nM 452.45 Cc1cnc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)cn1 Homo sapiens CHEMBL3880799 assay format
CHEMBL3966289 OBDepict OH N H H N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 466.48 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@H](CO)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3982808 OBDepict NH 2 S N H O O H O H OH H N H HO N N N N H IC50 <= 100.0 nM 485.53 NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(NCc4cccc5ccccc45)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3968779 OBDepict OH N H H N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 466.48 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H](CO)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3912770 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H N O IC50 <= 100.0 nM 459.49 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCCN4CCOCC4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3915467 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H N H IC50 <= 100.0 nM 443.49 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCC4CCNCC4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3950530 OBDepict CH 3 O N H N N N N H O H OH H H HO O S O O H 2 N IC50 <= 100.0 nM 466.48 COc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3953205 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H N N IC50 <= 100.0 nM 548.63 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCCN4CCN(Cc5ccccc5)CC4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3958227 OBDepict NH 2 S O O O H H OH H N H HO N N N N H H IC50 <= 100.0 nM 460.52 NS(=O)(=O)OC[C@H]1C[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3920155 OBDepict Cl HN N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 456.87 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3929566 OBDepict NH 2 S O O O H O H OH H N H HO N N N IC50 <= 100.0 nM 433.45 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(/C=C/c4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3965138 OBDepict H 3 C O N CH 3 N N N N H O H OH H H HO O S O O H 2 N IC50 <= 100.0 nM 426.41 Cc1noc(C)c1-c1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3969986 OBDepict NH 2 S O O O H H OH H N H HO N N N IC50 <= 100.0 nM 433.49 NS(=O)(=O)OC[C@H]1C[C@@H](n2cnc3c(CCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3900065 OBDepict OH N H H N N N N H O H HO H H OH NH S O O NH 2 IC50 <= 100.0 nM 465.49 NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(N[C@@H](CO)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3905476 OBDepict NH 2 S O O O H O H OH H N N N IC50 <= 100.0 nM 314.32 NS(=O)(=O)OC[C@H]1O[C@@H](n2ccc3cncnc32)C[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3908282 OBDepict Cl N H O N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 484.88 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3936906 OBDepict O N O N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 490.45 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(CN4C(=O)c5ccccc5C4=O)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3945724 OBDepict NH 2 S O O O H O H OH H N H HO N N N N IC50 <= 100.0 nM 462.49 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(CN4Cc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3961638 OBDepict CH 3 O N N N N H O H OH H H HO O S O O NH 2 IC50 <= 100.0 nM 461.46 COc1ccc(C#Cc2ncnc3c2ncn3[C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL3880799 assay format
CHEMBL3896299 OBDepict F F HN O N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 500.44 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(CNC(=O)c4cc(F)cc(F)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3934314 OBDepict NH 2 S O O O H H OH H N N N N N H H IC50 <= 100.0 nM 444.52 NS(=O)(=O)OC[C@H]1C[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3982537 OBDepict O N H N N N H O H H OH O S O O NH 2 IC50 <= 100.0 nM 433.45 NS(=O)(=O)OC[C@H]1O[C@@H](n2ccc3c(NC(=O)c4ccccc4)ncnc32)C[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3964150 OBDepict O N H N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 464.46 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(CNC(=O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3963851 OBDepict CH 3 N H N N N N H O H OH H H HO O S O O H 2 N IC50 <= 100.0 nM 476.52 CN(c1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O)[C@H]1CCc2ccccc21 Homo sapiens CHEMBL3880799 assay format
CHEMBL3948186 OBDepict NH 2 S N H O O H O H OH H N H HO N N N N H H IC50 <= 100.0 nM 461.5 NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3947895 OBDepict CH 3 N N N N H O H OH H H HO O S O O NH 2 IC50 <= 100.0 nM 359.36 CCc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3900357 OBDepict Cl N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 465.88 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(C#Cc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3970540 OBDepict NH 2 S O O O H O H OH H N N N N H H IC50 <= 100.0 nM 445.5 NS(=O)(=O)OC[C@H]1O[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3922924 OBDepict CH 3 N N N N H O H H OH O S O O H 2 N IC50 <= 100.0 nM 371.42 CCCCc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 Homo sapiens CHEMBL3880799 assay format
CHEMBL3971613 OBDepict NH 2 S O O O H H OH H N H HO N N N IC50 <= 100.0 nM 429.46 NS(=O)(=O)OC[C@H]1C[C@@H](n2cnc3c(C#Cc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3891498 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H H IC50 <= 100.0 nM 462.49 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)nncc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3926857 OBDepict Br N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 510.33 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(C#Cc4ccccc4Br)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3936601 OBDepict NH 2 S O O O H H OH H N N N N H H IC50 <= 100.0 nM 443.53 NS(=O)(=O)OC[C@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3955670 OBDepict NH 2 S O O O H O H OH H N H HO N N N F F F IC50 <= 100.0 nM 499.43 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(C#Cc4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3958300 OBDepict F F N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 467.41 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(C#Cc4cc(F)cc(F)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3927459 OBDepict F N H O N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 468.42 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3900991 OBDepict NH 2 S O O O H O H OH H N H F N N N IC50 <= 100.0 nM 437.45 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(CCc4ccccc4)ncnc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3898215 OBDepict CH 3 HN O NH N N N N H O H OH H H HO O S O O H 2 N IC50 <= 100.0 nM 507.53 CC(=O)NCc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3932342 OBDepict NH 2 S O O O H O H OH H N H HO N N N H H IC50 <= 100.0 nM 461.5 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)nccc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3929598 OBDepict CH 3 O N H O N N N N H O H OH H H HO O S O O H 2 N IC50 <= 100.0 nM 480.46 COc1ccccc1C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3984335 OBDepict F N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 449.42 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(C#Cc4ccccc4F)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3984971 OBDepict Cl N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 465.88 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(C#Cc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3921462 OBDepict NH 2 S N H O O H O H OH H N H HO N N N IC50 <= 100.0 nM 430.45 NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(C#Cc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3953045 OBDepict CH 3 O HN O N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 494.49 COc1ccccc1C(=O)NCc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3966547 OBDepict Br N N N N H O H HO H H OH O S O O NH 2 IC50 <= 100.0 nM 510.33 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(C#Cc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3925730 OBDepict NH 2 S N H O O H H OH H N H HO N N N N H H IC50 <= 100.0 nM 459.53 NS(=O)(=O)NC[C@H]1C[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format
CHEMBL3984455 OBDepict NH 2 S O O O H O H OH H N H HO N N N N H S O O IC50 <= 100.0 nM 486.49 NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3880799 assay format