HOME LIGAND hPROTEOME OTHERS DOCUMENT

P21589 | 5NTD_HUMAN | 5'-nucleotidase (NT5E)

3D structures mapped by conservation among orthologs

[ Domain: "Metallo-dependent phosphatases" // Metallophos_2_1 ]

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[ Domain: "5'-nucleotidase (syn. UDP-sugar hydrolase), C-terminal domain" // 5_nucleotid_C ]

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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
CHEMBL4471306 OBDepict Cl N N H N N CH 3 H H O H OH F H H HO O P O OH P O HO HO Ki = 0.005 nM 580.83 C[C@H](Nc1cc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1F Homo sapiens CHEMBL4404520 single protein format
CHEMBL4749428 OBDepict Cl N N N H N N H O H HO H H OH O P O OH P O OH OH IC50 = 0.027 nM 527.8 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4776758 OBDepict Cl N N N H N CH 3 H H O H OH F H H HO O P O OH P O HO HO IC50 = 0.028 nM 580.83 C[C@H](Nc1nc(Cl)nc2c1ccn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1F Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4740465 OBDepict F N H H 3 C H N Cl N N N H O H HO H H OH O P O OH P O OH OH IC50 = 0.031 nM 581.82 C[C@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1cccc(F)c1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4746184 OBDepict F N H H 3 C H N Cl N N H O H HO H H OH O P O OH P O OH OH IC50 = 0.031 nM 580.83 C[C@H](Nc1nc(Cl)nc2c1ccn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccc(F)cc1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4797225 OBDepict F N H H 3 C H N Cl N N H O H HO H H OH O P O OH P O OH OH IC50 = 0.032 nM 580.83 C[C@H](Nc1nc(Cl)nc2c1ccn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1cccc(F)c1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4471306 OBDepict Cl N N H N N CH 3 H H O H OH F H H HO O P O OH P O HO HO IC50 = 0.041 nM 580.83 C[C@H](Nc1cc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1F Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4743437 OBDepict Cl N N N H N N CH 3 H H O H OH H H HO O P O OH P O HO HO IC50 = 0.045 nM 563.83 C[C@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4790144 OBDepict Cl N N N H N N H O H HO H H OH O P O OH P O OH OH IC50 = 0.052 nM 549.8 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4745002 OBDepict Cl N N N H N N CH 3 H H O H OH H H HO O P O OH P O HO HO IC50 = 0.058 nM 563.83 C[C@@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4784155 OBDepict Cl N N N H N N CH 3 H H O H OH F H H HO O P O OH P O HO HO IC50 = 0.07 nM 581.82 C[C@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1F Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4777161 OBDepict F N H H 3 C H N Cl N N N H O H HO H H OH O P O OH P O OH OH IC50 = 0.095 nM 581.82 C[C@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccc(F)cc1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4761506 OBDepict F N H H 3 C H Cl N N N H O H HO H H OH O P O OH P O OH OH IC50 = 0.115 nM 580.83 C[C@H](Nc1cc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccc(F)cc1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4753354 OBDepict Cl N N N N CH 3 N H O H OH H H HO O P O OH P O HO HO IC50 = 0.12 nM 541.82 CN(c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)C1CCCC1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4763896 OBDepict Cl N N N H N N H O H F H H OH O P O OH P O OH OH IC50 = 0.15 nM 529.79 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4758486 OBDepict Cl N N N N CH 3 N H O H F H H HO O P O OH P O HO HO IC50 = 0.15 nM 543.81 CN(c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F)C1CCCC1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4744502 OBDepict Cl N N N H N N H O H HO H H OH O P O OH P O OH OH IC50 = 0.2 nM 527.8 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4764985 OBDepict H 3 C O P O O OH HO HO H O H OH H N H HO N N Cl N N H IC50 = 0.25 nM 537.89 COC[C@](CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4780231 OBDepict Cl N N N H N N CH 3 H H O H OH H H HO O P O OH P O HO HO IC50 = 0.3 nM 563.83 C[C@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4788910 OBDepict Cl N N N H N N H O H HO H H OH O P O OH P O OH OH IC50 = 0.3 nM 549.8 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4452072 OBDepict Cl N N N N CH 3 N H O H OH H H HO O P O OH P O HO HO Ki = 0.318 nM 563.83 CN(Cc1ccccc1)c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4404520 single protein format
CHEMBL4791237 OBDepict Cl N N N H N N H O H HO H H OH O P O O OH P O OH OH IC50 = 0.4 nM 551.77 O=P(O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4775849 cell-based format
CHEMBL4748647 OBDepict Cl N N N H N N H O H F H H OH O P O OH P O OH OH IC50 = 0.4 nM 529.79 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4752114 OBDepict OH P O CH 3 O OH HO H O H OH H N H HO N N Cl N N H IC50 = 0.51 nM 507.87 C[C@@](CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4757563 OBDepict Cl N N N N CH 3 N H H O H HO H H OH O P O OH P O OH OH IC50 = 0.52 nM 589.87 CN(c1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)[C@H]1CCc2ccccc21 Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4743237 OBDepict H 3 C O P O O OH HO HO H O H OH H N H HO N N Cl N N H IC50 = 0.53 nM 537.89 COCC(CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4786598 OBDepict HO P O O OH OH OH H O H HO H N H OH N N Cl N N H IC50 = 0.57 nM 523.87 O=P(O)(O)C(CO)(CO)OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4748576 OBDepict CH 3 O N N N H N N H O H F H H HO O P O OH P O HO HO IC50 = 0.6 nM 539.39 COCc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]3F)c2n1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4746820 OBDepict H 3 C N H CH 3 N N Cl N N H O H OH H H HO O P O OH P O HO HO IC50 = 0.7 nM 501.76 CC(C)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4779616 OBDepict Cl N N N H N N H O H F H H OH O P O OH P O OH OH IC50 = 0.7 nM 551.79 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4750588 OBDepict Cl N N N H N N CH 3 H H O H OH H H HO O P O OH P O HO HO IC50 = 0.7 nM 563.83 C[C@@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4761534 OBDepict Cl N N N H N N H H O O H F H H OH O P O OH P O OH OH IC50 = 0.8 nM 531.76 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCOC4)nc(Cl)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4741516 OBDepict Cl N N N N N H O H F H H OH O P O OH P O OH OH IC50 = 0.9 nM 515.76 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N4CCCC4)nc(Cl)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4751244 OBDepict CH 3 O P O O OH HO H O H OH H N H HO N N Cl N N H IC50 = 0.96 nM 507.87 COCC(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4788790 OBDepict H 3 C O P O O OH HO HO H O H OH H N H HO N N Cl N N H IC50 = 1.0 nM 537.89 COC[C@@](CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4755101 OBDepict Cl N N N N N H O H F H H OH O P O OH P O OH OH IC50 = 1.1 nM 563.8 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N4Cc5ccccc5C4)nc(Cl)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4782655 OBDepict Cl N N N N N CH 3 N H H O H HO H H OH O P O OH P O OH OH IC50 = 1.3 nM 590.85 CN(c1nc(Cl)nc2c1nnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)[C@H]1CCc2ccccc21 Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4759136 OBDepict Cl N H N N Cl N N H O H F H H OH O P O OH P O OH OH IC50 = 1.3 nM 586.24 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4793370 OBDepict Cl N N O N N H O H F H H OH O P O OH P O OH OH IC50 = 1.3 nM 552.78 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc(Cl)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4796737 OBDepict CH 3 N N N H N N H O H OH H H HO O P O OH P O HO HO IC50 = 1.3 nM 529.38 Cc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4784951 OBDepict OH P O CH 3 O OH HO H O H OH H N H HO N N Cl N N H IC50 = 1.3 nM 507.87 CC(CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4753731 OBDepict OH N N N H N N H O H F H H OH O P O OH P O OH OH IC50 = 1.4 nM 565.43 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(C(O)C4CC4)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4748342 OBDepict Cl N N N H N N CH 3 H H O H F H H HO O P O OH P O HO HO IC50 = 1.6 nM 565.82 C[C@@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F)c1ccccc1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4776829 OBDepict Cl N N N H N N H O H HO H H OH O P O HO P O OH HO IC50 = 1.7 nM 499.74 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4760025 OBDepict CH N N N H N N H O H F H H HO O P O OH P O HO HO IC50 = 2.0 nM 541.37 C#Cc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]3F)c2n1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4784883 OBDepict Cl N N N H N N CH 3 H H O H F H H HO O P O OH P O HO HO IC50 = 2.1 nM 565.82 C[C@@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F)c1ccccc1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4791467 OBDepict CH 3 O N N N H N N H O H OH H H HO O P O OH P O HO HO IC50 = 2.2 nM 545.38 COc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4796788 OBDepict Cl N H N N Cl N N H O H F H H HO O P O OH P O HO OH IC50 = 2.4 nM 586.24 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(Cl)cc4)nc(Cl)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4753449 OBDepict OH P O O OH OH H O H HO H N H OH N N Cl N N H IC50 = 2.4 nM 493.84 O=P(O)(O)C(CO)OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4783528 OBDepict Cl N N N H N N H O H F H H OH O P O HO P O OH HO IC50 = 2.6 nM 501.73 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4452072 OBDepict Cl N N N N CH 3 N H O H OH H H HO O P O OH P O HO HO IC50 = 3.0 nM 563.83 CN(Cc1ccccc1)c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4585872 OBDepict I N N NH 2 N N H O H OH H H HO O P O OH P O HO HO Ki = 3.59 nM 551.13 Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4404523 cell-based format
CHEMBL4751771 OBDepict H 3 C N H CH 3 N N Cl N N H O H F H H HO O P O OH P O HO HO IC50 = 3.6 nM 503.75 CC(C)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4747191 OBDepict Cl N N N H N N H O H F H H OH N O P O OH P O OH OH IC50 = 3.6 nM 552.78 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccncc4)nc(Cl)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4798368 OBDepict Cl N N N H N N N H O H HO Cl H H OH O P O OH P O OH OH IC50 = 3.9 nM 585.23 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2nnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4748492 OBDepict CH 3 N N N H N N H O H F H H HO O P O OH P O HO HO IC50 = 4.0 nM 531.37 Cc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]3F)c2n1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4779193 OBDepict Cl N N N H N N CH 3 H H O H F H H HO O P O OH P O HO HO IC50 = 4.1 nM 565.82 C[C@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F)c1ccccc1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4784405 OBDepict Cl N N N H N N H O H F Cl H H OH O P O OH P O OH OH IC50 = 4.2 nM 586.24 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4755577 OBDepict OH P O OH P O O HO H O H OH H N H OH N N N HN IC50 = 4.3 nM 515.36 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4668736 single protein format
CHEMBL4785104 OBDepict Cl N HN N N H O H OH H H OH O P O OH OH IC50 = 4.5 nM 462.83 O=P(O)(O)COC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)cc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4775849 cell-based format
CHEMBL4483379 OBDepict O HN N N O H O H OH H H HO O P O OH P O HO HO Ki = 4.58 nM 505.31 O=C(Nc1ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1)c1ccccc1 Homo sapiens CHEMBL4392267 cell-based format
CHEMBL4755896 OBDepict H 3 C N H N N Cl N N H O H F H H HO O P O OH P O HO HO IC50 = 5.0 nM 489.72 CCNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4475460 OBDepict Cl N N NH 2 N N H O H OH H H HO O P O OH P O HO HO IC50 = 5.0 nM 459.68 Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4752232 OBDepict CH 3 HN N N N H N N H O H OH H H HO O P O OH P O HO HO IC50 = 5.0 nM 544.4 CNc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL3606064 OBDepict F N O N H O H O H OH H H HO O P O OH P O HO HO Ki = 5.33 nM 420.18 O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F Homo sapiens CHEMBL4392267 cell-based format
CHEMBL4742951 OBDepict Cl N N N H N N CH 3 H H O H F H H HO O P O OH P O HO HO IC50 = 5.4 nM 565.82 C[C@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F)c1ccccc1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4752494 OBDepict Cl N N N H N N H O H F H H OH O P O OH P O OH OH IC50 = 5.9 nM 551.79 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4)nc(Cl)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4475460 OBDepict Cl N N NH 2 N N H O H OH H H HO O P O OH P O HO HO Ki = 5.93 nM 459.68 Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4404523 cell-based format
CHEMBL4443094 OBDepict O N N H N H O O H HO H H HO O P O OH P O HO OH Ki = 6.88 nM 557.39 O=c1[nH]/c(=N/OCc2ccc3ccccc3c2)ccn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4392267 cell-based format
CHEMBL4792487 OBDepict CH 3 N N H H CH 3 CH 3 N O N H H O IC50 = 7.3 nM 286.34 Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1C(C)C Homo sapiens CHEMBL4687610 cell-based format
CHEMBL4793057 OBDepict Cl N N H 2 N N N H O H F H H OH O O OH O OH N O NH IC50 = 9.0 nM 593.96 Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(Cc2ccc(N3CCCNC3=O)cc2)(C(=O)O)C(=O)O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4687606 cell-based format
CHEMBL4798306 OBDepict OH P O OH P O O OH H O H OH H N H F N N N N H IC50 = 10.0 nM 593.45 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(-c4ccccc4)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4786375 OBDepict Cl N N NH N N H 3 C H H O H HO H H HO S O O P O HO HO IC50 < 10.0 nM 547.91 C[C@@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1 Homo sapiens CHEMBL4687603 cell-based format
CHEMBL4788607 OBDepict H 3 C S P O CH 3 O OH HO H O H OH H N H HO N N Cl N N H IC50 = 10.0 nM 537.96 CSCC(C)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4443977 OBDepict O N N CH 3 N H O O H HO H H HO O P O OH P O HO OH Ki = 10.6 nM 521.36 Cn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc/c1=NOCc1ccccc1 Homo sapiens CHEMBL4392267 cell-based format
CHEMBL4745473 OBDepict Cl N N HN N N H O H OH H H OH O P O OH OH IC50 = 11.0 nM 463.82 O=P(O)(O)COC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4796959 OBDepict OH P O CH 3 O OH HO H O H OH H N H HO N N Cl N N H IC50 = 11.7 nM 507.87 C[C@](CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4743019 OBDepict CH 3 N N N H N N H O H OH H H HO O P O OH P O HO HO IC50 = 12.0 nM 543.41 CCc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4762685 OBDepict CH 3 N H N N Cl N N H O H F H H HO O P O OH P O HO HO IC50 = 12.0 nM 475.69 CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4787752 OBDepict OH P O OH O H O H HO H N H HO N N N HN O IC50 = 13.0 nM 535.49 O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(COc4ccccc4)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4775849 cell-based format
CHEMBL4760944 OBDepict Cl N N HN N N H O H OH Cl H H OH S O O P O OH OH IC50 = 13.0 nM 568.33 O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL3798753 OBDepict CH 3 O CH 3 O N H O S O O H 2 N Ki = 14.0 nM 388.45 CC(C)OC1Oc2ccccc2C(=O)/C1=CNc1cccc(S(N)(=O)=O)c1 Homo sapiens CHEMBL3804264 cell-based format
CHEMBL4551648 OBDepict O N N H N H O O H H HO O P O OH P O HO HO F F F Ki = 14.0 nM 559.33 O=c1[nH]/c(=N/OCc2ccc(C(F)(F)F)cc2)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)O)O1 Homo sapiens CHEMBL4392267 cell-based format
CHEMBL4591580 OBDepict NH 2 HN N N NH 2 N N H O H OH H H HO O P O OH P O HO HO Ki = 15.5 nM 455.26 NNc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL4404523 cell-based format
CHEMBL4470616 OBDepict F N N N O H O H O H HO H H HO O P O OH P O HO OH Ki = 15.9 nM 525.32 O=c1[nH]/c(=N/OCc2ccccc2)c(F)cn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4392267 cell-based format
CHEMBL3798795 OBDepict CH 3 O O N H O S O O NH 2 Ki = 18.0 nM 402.47 CCCCOC1Oc2ccccc2C(=O)/C1=CNc1cccc(S(N)(=O)=O)c1 Homo sapiens CHEMBL3804264 cell-based format
CHEMBL3797302 OBDepict CH 3 O O N H O S O O NH 2 Ki = 18.0 nM 360.39 COC1Oc2ccccc2C(=O)/C1=CNc1cccc(S(N)(=O)=O)c1 Homo sapiens CHEMBL3804264 cell-based format
CHEMBL4799519 OBDepict NH 2 N N N N H O H F H H HO O P O OH P O HO HO IC50 = 18.0 nM 427.22 Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1F Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4741942 OBDepict Cl N N HN N N H O H OH H H OH O P H 3 C O OH OH IC50 = 18.0 nM 477.84 CC(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4749606 OBDepict OH P O OH P O O OH H O H OH H N H F N N N N H F F F IC50 = 18.0 nM 585.34 O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(C(F)(F)F)nc32)[C@@H](F)[C@@H]1O Homo sapiens CHEMBL4668685 cell-based format
CHEMBL4576728 OBDepict N N N N N N N H N IC50 = 21.0 nM 416.45 N#Cc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1 Homo sapiens CHEMBL4405659 cell-based format
CHEMBL4467828 OBDepict N N N Cl N N N N H N IC50 = 22.0 nM 450.89 N#Cc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1 Homo sapiens CHEMBL4405659 cell-based format
CHEMBL4754460 OBDepict Cl N N N H N N H O H OH H H HO O P CH 3 O OH HO S O O H 3 C IC50 = 23.0 nM 569.96 CC(CS(C)(=O)=O)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4456465 OBDepict NH 2 N N Cl N N H O H OH H H HO O P O OH P O HO HO Ki = 23.6 nM 459.68 Nc1nc(Cl)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL4404523 cell-based format
CHEMBL4790529 OBDepict CH 3 O P O O P O HO HO H O H OH H N H HO N N Cl N N H Cl IC50 = 24.7 nM 598.27 COP(=O)(CP(=O)(O)O)OC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4791637 OBDepict Cl N N HN N N H O H OH H H OH O P O OH OH IC50 = 26.0 nM 463.82 O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4775849 cell-based format
CHEMBL3799691 OBDepict CH 3 O O N H O Cl S O O NH 2 Ki = 27.0 nM 394.84 COC1Oc2ccc(Cl)cc2C(=O)/C1=CNc1cccc(S(N)(=O)=O)c1 Homo sapiens CHEMBL3804264 cell-based format
CHEMBL4749770 OBDepict H N N N N P O O OH HO H O H OH H N H HO N N Cl N N H IC50 = 28.0 nM 531.85 O=P(O)(O)C(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)c1nn[nH]n1 Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4785716 OBDepict Cl N N HN N N H O H OH Cl H H OH O P O OH OH IC50 = 29.0 nM 520.27 O=P(O)(O)COC[C@H]1O[C@@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4729978 cell-based format
CHEMBL4438144 OBDepict N N N F N N N N H N IC50 = 30.0 nM 434.44 N#Cc1ccc(Cn2nccc2-c2cc(F)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1 Homo sapiens CHEMBL4405659 cell-based format