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P33316 | DUT_HUMAN | "Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial" (DUT)

3D structures mapped by conservation among orthologs

[ Domain: "dUTPase-like" // dUTPase ]

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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
CHEMBL2057911 OBDepict F O N H H 3 C H S O O O N O N H O IC50 = 21.0 nM 455.51 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 Homo sapiens CHEMBL2060493 single protein format
CHEMBL2147981 OBDepict F F O S N H O O CH 3 CH 3 N O N H O IC50 = 26.0 nM 457.5 CC(C)(CC/C=C/Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC(F)F)c1 Homo sapiens CHEMBL2150114 assay format
CHEMBL2147979 OBDepict O N H N O N H CH 3 CH 3 S O O O IC50 = 28.0 nM 447.56 CC(C)(CC/C=C/Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL2150114 assay format
CHEMBL2163854 OBDepict CH 3 H N N O N N O N H O IC50 = 29.0 nM 437.54 CC[C@@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL2169084 single protein format
CHEMBL3664406 OBDepict CH 3 N H H S O O O N O N H O O F IC50 = 30.0 nM 469.54 CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664420 OBDepict F O N H H S S O O O N O N H O IC50 = 30.0 nM 523.61 O=c1ccn(COCCCS(=O)(=O)N[C@@H](c2ccc(F)c(OCC3CC3)c2)c2cccs2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664416 OBDepict H 3 C N H S O O O N O N H O O F IC50 = 30.0 nM 469.54 CCC(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2147976 OBDepict O N H N O N H CH 3 CH 3 S O O O IC50 = 31.0 nM 483.59 CC(C)(NS(=O)(=O)c1cccc(OC2CCCC2)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1 Homo sapiens CHEMBL2150114 assay format
CHEMBL2147980 OBDepict O N H N O HN CH 3 CH 3 S O O O IC50 = 33.0 nM 461.58 CC(C)(CC/C=C/Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OC2CCCC2)c1 Homo sapiens CHEMBL2150114 assay format
CHEMBL2057599 OBDepict O N H N O O N H CH 3 CH 3 S O O O IC50 = 35.0 nM 451.55 CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL2060493 single protein format
CHEMBL2147985 OBDepict O N H N O S HN O O CH 3 H O IC50 = 39.0 nM 433.53 C[C@@H](NS(=O)(=O)CC/C=C/Cn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL2150114 assay format
CHEMBL3664423 OBDepict CH 3 HN H S O O O N O N H O O IC50 = 40.0 nM 465.57 CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3659896 OBDepict CH 3 CH 3 N H H S O O O N O N H O O F IC50 = 40.0 nM 483.56 CC(C)[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664407 OBDepict F O N H H 3 C H S O O O N O N H O IC50 = 40.0 nM 469.54 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OC2CCCC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664464 OBDepict F O N H H 3 C H S O O N O N H O IC50 = 40.0 nM 451.52 C[C@@H](NS(=O)(=O)CC/C=C/Cn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2057909 OBDepict O N H N O O S HN O O CH 3 H O IC50 = 40.0 nM 437.52 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL2060493 single protein format
CHEMBL3664409 OBDepict CH 3 N H H S O O O N O N H O O IC50 = 40.0 nM 451.55 CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2147986 OBDepict O N H N O S N H O O CH 3 H O IC50 = 41.0 nM 447.56 C[C@@H](NS(=O)(=O)CC/C=C/Cn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 Homo sapiens CHEMBL2150114 assay format
CHEMBL2163852 OBDepict O N H N O N N N H 3 C H O IC50 = 58.0 nM 423.52 C[C@@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL2169084 single protein format
CHEMBL3659894 OBDepict O N H N O O S N H O O CH 3 H O IC50 = 60.0 nM 451.55 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2057601 OBDepict H 3 C N H S O O O N O N H O O IC50 = 62.0 nM 437.52 CC(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL2060493 single protein format
CHEMBL2163866 OBDepict CH 3 HO N N O N F N O N H O IC50 = 67.0 nM 471.53 CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 Homo sapiens CHEMBL2169084 single protein format
CHEMBL3664465 OBDepict F O N H H 3 C H S O O N O N H O IC50 = 70.0 nM 453.54 C[C@@H](NS(=O)(=O)CCCCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2147977 OBDepict F F O S N H O O CH 3 CH 3 N O N H O IC50 = 73.0 nM 479.51 CC(C)(NS(=O)(=O)c1cccc(OCC(F)F)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1 Homo sapiens CHEMBL2150114 assay format
CHEMBL2147975 OBDepict O N H N O N H CH 3 CH 3 S O O O IC50 = 73.0 nM 469.56 CC(C)(NS(=O)(=O)c1cccc(OCC2CC2)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1 Homo sapiens CHEMBL2150114 assay format
CHEMBL2147987 OBDepict F F O HN CH 3 H S O O N O N H O IC50 = 82.0 nM 443.47 C[C@@H](NS(=O)(=O)CC/C=C/Cn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)F)c1 Homo sapiens CHEMBL2150114 assay format
CHEMBL3664425 OBDepict H 3 C HN H S O O O N O N H O O IC50 = 90.0 nM 437.52 CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664422 OBDepict F O N H H S O O O N O N H O IC50 = 100.0 nM 481.55 O=c1ccn(COCCCS(=O)(=O)N[C@@H](c2ccc(F)c(OCC3CC3)c2)C2CC2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664408 OBDepict CH 3 H 3 C N H S O O O N O N H O O F IC50 = 100.0 nM 483.56 CC(C)C(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664419 OBDepict F N H H S O O O N O N H O O F IC50 = 100.0 nM 535.57 O=c1ccn(COCCCS(=O)(=O)N[C@H](c2ccc(F)cc2)c2ccc(F)c(OCC3CC3)c2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664500 OBDepict O N H N O N N H CH 3 CH 3 S O O O IC50 = 110.0 nM 470.55 CC(C)(NS(=O)(=O)c1cccc(OCC2CC2)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)nc1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664449 OBDepict F F O F HN CH 3 H S O O O N O N H O IC50 = 110.0 nM 465.45 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC(F)F)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664472 OBDepict O N H N O S HN O O CH 3 H O IC50 = 120.0 nM 435.55 C[C@@H](NS(=O)(=O)CCCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664469 OBDepict O N H N O S N H O O CH 3 H O IC50 = 120.0 nM 449.57 C[C@@H](NS(=O)(=O)CCCCCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664499 OBDepict O N H N O O HN S O O O IC50 = 130.0 nM 449.53 O=c1ccn(COCCCC2(NS(=O)(=O)c3cccc(OCC4CC4)c3)CC2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664442 OBDepict F F O HN CH 3 H S O O O N O N H O IC50 = 140.0 nM 447.46 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)F)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664493 OBDepict F F O S N H O O CH 3 CH 3 O N O N H O IC50 = 140.0 nM 461.49 CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC(F)F)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664430 OBDepict F O N H CH 3 H S O O O O N O N H O IC50 = 140.0 nM 485.53 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OC2CCOCC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664414 OBDepict CH 3 HN S O O O N O N H O O IC50 = 140.0 nM 451.55 CC(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2163863 OBDepict CH 3 OH N N O N N O N H O IC50 = 150.0 nM 467.57 CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CCC2)c1 Homo sapiens CHEMBL2169084 single protein format
CHEMBL2163856 OBDepict CH 3 OH N N O N N O N H O IC50 = 150.0 nM 453.54 CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL2169084 single protein format
CHEMBL2048477 OBDepict O N H N O N H O IC50 = 150.0 nM 417.51 O=C(CCCn1ccc(=O)[nH]c1=O)N1CCC[C@H]1C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL2049243 single protein format
CHEMBL3664418 OBDepict H 3 C N H S O O O N O N H O O F IC50 = 150.0 nM 455.51 CC(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3659897 OBDepict H N O O N O S HN O O O IC50 = 160.0 nM 499.59 O=c1ccn(COCCCS(=O)(=O)NC(c2ccccc2)c2cccc(OCC3CC3)c2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664426 OBDepict F O N H S O O O N O N H O IC50 = 160.0 nM 455.51 O=c1ccn(COCCCS(=O)(=O)NCc2ccc(F)c(OC3CCCC3)c2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2163865 OBDepict CH 3 OH N N O N O N O N H O IC50 = 170.0 nM 455.52 CC[C@@](O)(Cn1nncc1CCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL2169084 single protein format
CHEMBL3664404 OBDepict CH 3 N H S CH 3 O O O N O N H O O F IC50 = 190.0 nM 497.59 CCC(CC)(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3659900 OBDepict CH 3 N H S CH 3 O O O N O N H O O IC50 = 210.0 nM 479.6 CCC(CC)(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664401 OBDepict O N H N O O S HN O O O O IC50 = 210.0 nM 569.68 O=c1ccn(COCCCS(=O)(=O)NC(c2cccc(OCC3CC3)c2)c2cccc(OCC3CC3)c2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2163851 OBDepict O N H N O N N N O IC50 = 210.0 nM 409.49 O=c1ccn(CCCCc2cnnn2CCc2cccc(OCC3CC3)c2)c(=O)[nH]1 Homo sapiens CHEMBL2169084 single protein format
CHEMBL3664429 OBDepict O N H N O O S N H O O CH 3 H O O IC50 = 210.0 nM 467.54 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCOCC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2163857 OBDepict H 3 C HO N N O N N O N H O IC50 = 210.0 nM 467.57 CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 Homo sapiens CHEMBL2169084 single protein format
CHEMBL3664434 OBDepict O N H N O O S HN O O CH 3 H O F F F IC50 = 230.0 nM 465.45 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)(F)F)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664435 OBDepict F O N H CH 3 H F F F S O O O N O N H O IC50 = 230.0 nM 483.44 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC(F)(F)F)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2048476 OBDepict O N H OH S S N O N H O IC50 = 230.0 nM 597.76 O=C(CCCn1ccc(=O)[nH]c1=O)N1CCC[C@H]1C(O)(c1cccc(-c2ccsc2)c1)c1cccc(-c2ccsc2)c1 Homo sapiens CHEMBL2049243 single protein format
CHEMBL3664494 OBDepict O N H N O O HN CH 3 CH 3 S O O O IC50 = 240.0 nM 465.57 CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OC2CCCC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664403 OBDepict F N H S O O O N O N H O O F IC50 = 240.0 nM 535.57 O=c1ccn(COCCCS(=O)(=O)NC(c2ccc(F)cc2)c2ccc(F)c(OCC3CC3)c2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664477 OBDepict CH 3 N H H S O O N O N H O O F IC50 = 250.0 nM 439.51 CC[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664480 OBDepict O N H N O N S HN O O O IC50 = 270.0 nM 448.55 O=c1ccn(CC2CCN(S(=O)(=O)NCc3cccc(OCC4CC4)c3)CC2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664405 OBDepict O N H N O O S N H O O O IC50 = 270.0 nM 437.52 O=c1ccn(COCCCS(=O)(=O)NCc2cccc(OC3CCCC3)c2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2048480 OBDepict F OH H N S O O N O N H O F IC50 = 280.0 nM 505.54 O=c1ccn(CCCS(=O)(=O)N2CCC[C@@H]2C(O)(c2cccc(F)c2)c2cccc(F)c2)c(=O)[nH]1 Homo sapiens CHEMBL2049243 single protein format
CHEMBL3664421 OBDepict O N H N O O S N H O O O IC50 = 280.0 nM 477.58 O=c1ccn(COCCCS(=O)(=O)NC2(c3cccc(OCC4CC4)c3)CCCC2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2046464 OBDepict O N H OH N O N H O IC50 = 290.0 nM 433.51 O=C(CCCn1ccc(=O)[nH]c1=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL2049243 single protein format
CHEMBL2048443 OBDepict O N H N O H O H OH H O P O OH P O O OH P O O OH Ki = 300.0 nM 556.29 O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)OCc3ccccc3)O2)c(=O)[nH]1 Homo sapiens CHEMBL2049245 single protein format
CHEMBL2048481 OBDepict F OH H N S O O N O N H O F IC50 = 310.0 nM 505.54 O=c1ccn(CCCS(=O)(=O)N2CCC[C@@H]2C(O)(c2ccc(F)cc2)c2ccc(F)cc2)c(=O)[nH]1 Homo sapiens CHEMBL2049243 single protein format
CHEMBL3664439 OBDepict H 3 C CH 3 O N H CH 3 H S O O O N O N H O IC50 = 310.0 nM 439.53 CC(C)COc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL1234349 OBDepict O N H N O S N O O H OH IC50 = 320.0 nM 469.56 O=c1ccn(CCCS(=O)(=O)N2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Homo sapiens CHEMBL2049243 single protein format
CHEMBL3664424 OBDepict O N H N O O S N H O O H O IC50 = 330.0 nM 477.58 O=c1ccn(COCCCS(=O)(=O)N[C@@H](c2cccc(OC3CCCC3)c2)C2CC2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3659899 OBDepict O N H N O O S N H O O H 3 C H O IC50 = 330.0 nM 423.49 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664511 OBDepict O N H N O O N H CH 3 CH 3 S O O O IC50 = 330.0 nM 451.55 CC(C)(COCCCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664502 OBDepict O N H N O O S HN O O O IC50 = 330.0 nM 423.49 O=c1ccn(COCCCS(=O)(=O)NCc2cccc(OCC3CC3)c2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664413 OBDepict CH 3 H 3 C N H S O O O N O N H O O IC50 = 330.0 nM 465.57 CC(C)C(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2057600 OBDepict O N H N O O S HN O O CH 3 CH 3 O IC50 = 340.0 nM 451.55 CC(C)(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 Homo sapiens CHEMBL2060493 single protein format
CHEMBL2147978 OBDepict CH 3 O S N H O O CH 3 CH 3 N O N H O IC50 = 340.0 nM 407.49 COc1cccc(S(=O)(=O)NC(C)(C)CC/C=C/Cn2ccc(=O)[nH]c2=O)c1 Homo sapiens CHEMBL2150114 assay format
CHEMBL3664478 OBDepict F N H H S O O N O N H O O F IC50 = 350.0 nM 505.54 O=c1ccn(CCCS(=O)(=O)N[C@H](c2ccc(F)cc2)c2ccc(F)c(OCC3CC3)c2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2048469 OBDepict F OH H N O F N O N H O IC50 = 350.0 nM 469.49 O=C(CCCn1ccc(=O)[nH]c1=O)N1CCC[C@H]1C(O)(c1cccc(F)c1)c1cccc(F)c1 Homo sapiens CHEMBL2049243 single protein format
CHEMBL2163867 OBDepict CH 3 HO N N O N F N O N H O IC50 = 350.0 nM 471.53 CC[C@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 Homo sapiens CHEMBL2169084 single protein format
CHEMBL2163861 OBDepict H 2 C O OH N CH 3 N N N O N H O IC50 = 360.0 nM 439.52 C=CCOc1cccc([C@@](O)(CC)Cn2nncc2CCCCn2ccc(=O)[nH]c2=O)c1 Homo sapiens CHEMBL2169084 single protein format
CHEMBL3664410 OBDepict F O N H CH 3 CH 3 S O O O N O N H O IC50 = 360.0 nM 469.54 CC(C)(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664412 OBDepict O N H N O O S HN O O O IC50 = 360.0 nM 463.56 O=c1ccn(COCCCS(=O)(=O)NC(c2cccc(OCC3CC3)c2)C2CC2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664443 OBDepict CH O H 3 C H HN CH 3 H S O O O N O N H O IC50 = 370.0 nM 435.5 C#C[C@H](C)Oc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664508 OBDepict F HO N S O O N O N H O F IC50 = 380.0 nM 505.54 O=c1ccn(CCCS(=O)(=O)N2CCCC2C(O)(c2cccc(F)c2)c2cccc(F)c2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2163877 OBDepict O N H N O N N N O IC50 = 390.0 nM 409.49 O=c1ccn(CCCCc2cnnn2CCc2ccccc2OCC2CC2)c(=O)[nH]1 Homo sapiens CHEMBL2169084 single protein format
CHEMBL3664507 OBDepict F HO N S O O N O N H O F IC50 = 400.0 nM 505.54 O=c1ccn(CCCS(=O)(=O)N2CCCC2C(O)(c2ccc(F)cc2)c2ccc(F)cc2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2147984 OBDepict F F O HN CH 3 H S O O N O N H O IC50 = 410.0 nM 465.48 C[C@@H](NS(=O)(=O)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1)c1cccc(OCC(F)F)c1 Homo sapiens CHEMBL2150114 assay format
CHEMBL3664445 OBDepict F O HN CH 3 H S O O O N O N H O IC50 = 410.0 nM 429.47 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCCF)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664475 OBDepict O N H N O S HN O O O IC50 = 410.0 nM 419.5 O=c1ccn(C/C=C/CCS(=O)(=O)NCc2cccc(OCC3CC3)c2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664436 OBDepict O N H N O O S HN O O CH 3 H O F F F F F IC50 = 410.0 nM 501.43 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC(F)(F)C(F)(F)F)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2147983 OBDepict O N H N O S N H O O H 3 C H O IC50 = 430.0 nM 469.56 C[C@@H](NS(=O)(=O)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1)c1cccc(OC2CCCC2)c1 Homo sapiens CHEMBL2150114 assay format
CHEMBL3664448 OBDepict CH 3 O CH 3 H N H CH 3 H S O O O N O N H O IC50 = 430.0 nM 439.53 CC[C@H](C)Oc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664503 OBDepict O N H N O O S N H O O CH 3 H O O IC50 = 460.0 nM 453.52 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCOC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664447 OBDepict CH 3 O CH 3 H N H CH 3 H S O O O N O N H O IC50 = 460.0 nM 439.53 CC[C@@H](C)Oc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664444 OBDepict CH O H 3 C H HN CH 3 H S O O O N O N H O IC50 = 470.0 nM 435.5 C#C[C@@H](C)Oc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664506 OBDepict O N H N O S N O O HO IC50 = 480.0 nM 469.56 O=c1ccn(CCCS(=O)(=O)N2CCCC2C(O)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664441 OBDepict O N H N O O S N H O O H 3 C H O CH 3 IC50 = 490.0 nM 451.55 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2(C)CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664433 OBDepict O N H N O O S HN O O CH 3 H O H 3 C CH 3 H 3 C IC50 = 510.0 nM 453.56 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC(C)(C)C)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664454 OBDepict O N H N O O S N H O O CH 3 H O IC50 = 510.0 nM 451.55 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCCC2CC2)c1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL3664467 OBDepict O N H N O S HN O O O IC50 = 520.0 nM 421.52 O=c1ccn(CCCCCS(=O)(=O)NCc2cccc(OCC3CC3)c2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format
CHEMBL2163860 OBDepict CH 3 OH N N O N CH 3 H 3 C N O N H O IC50 = 550.0 nM 455.56 CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC(C)C)c1 Homo sapiens CHEMBL2169084 single protein format
CHEMBL3664476 OBDepict F N H H S O O N O N H O O IC50 = 580.0 nM 487.55 O=c1ccn(CCCS(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccc(OCC3CC3)c2)c(=O)[nH]1 Homo sapiens CHEMBL3705334 single protein format