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P00374 | DYR_HUMAN | Dihydrofolate reductase (DHFR)

3D structures mapped by conservation among orthologs

[ Domain: "Dihydrofolate reductases" // DHFR_1 ]

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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
CHEMBL149218 OBDepict OH O NH O N H O N H O OH H 3 C N H 2 N N NH 2 Ki = 0.0001 nM 585.62 Cc1c(CNc2ccc(C(=O)NC(CCCNC(=O)c3ccccc3C(=O)O)C(=O)O)cc2)ccc2nc(N)nc(N)c12 Homo sapiens CHEMBL669872 single protein format
CHEMBL149164 OBDepict OH O NH O N H O N H O OH N N H 2 N N NH 2 Ki = 0.00019 nM 572.58 Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)ccc2n1 Homo sapiens CHEMBL669872 single protein format
CHEMBL297558 OBDepict OH O NH O N H O O OH H 2 N NH 2 Ki = 0.00021 nM 568.63 Nc1cc(N)c2cc(CCc3ccc(C(=O)NC(CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)ccc2c1 Homo sapiens CHEMBL666804 single protein format
CHEMBL296545 OBDepict OH O NH O N H O N H O OH N N H 2 N NH 2 Ki = 0.00033 nM 571.59 Nc1cc(N)c2nc(CNc3ccc(C(=O)NC(CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2c1 Homo sapiens CHEMBL666804 single protein format
CHEMBL47689 OBDepict OH O NH O N H O O OH N N H 2 N NH 2 Ki = 0.00035 nM 570.61 Nc1cc(N)c2nc(CCc3ccc(C(=O)NC(CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2c1 Homo sapiens CHEMBL666804 single protein format
CHEMBL18155 OBDepict OH O NH O N H O N H O OH N N N H 2 N N NH 2 Ki = 0.00035 nM 573.57 Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2n1 Homo sapiens CHEMBL669872 single protein format
CHEMBL150607 OBDepict OH O NH O N H O N H O OH N H 3 C N H 2 N N NH 2 Ki = 0.0004 nM 586.61 Cc1c(CNc2ccc(C(=O)NC(CCCNC(=O)c3ccccc3C(=O)O)C(=O)O)cc2)cnc2nc(N)nc(N)c12 Homo sapiens CHEMBL669872 single protein format
CHEMBL149962 OBDepict OH O NH O N H O N H O OH N N H 2 N N NH 2 Ki = 0.00041 nM 572.58 Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2n1 Homo sapiens CHEMBL669872 single protein format
CHEMBL295859 OBDepict CH 3 N N N H O NH 2 H 2 N O OH N H O O OH Ki = 0.00062 nM 598.66 CCC(Cc1cnc2cc(N)cc(N)c2n1)c1ccc(C(=O)NC(CCCNC(=O)c2ccccc2C(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL666804 single protein format
CHEMBL305177 OBDepict HO O HN O OH O HN N H 2 N N NH 2 Ki = 0.00089 nM 438.44 Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)ccc2n1 Homo sapiens CHEMBL821382 single protein format
CHEMBL132142 OBDepict OH O NH O HO O HN N N H 2 N N NH 2 IC50 = 0.0021 nM 489.49 Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)c4ccccc34)cnc2n1 Homo sapiens CHEMBL665699 single protein format
CHEMBL376180 OBDepict OH O N H H O OH O N H N N N NH 2 N NH 2 Ki = 0.0037 nM 440.42 Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1 Homo sapiens CHEMBL669872 single protein format
CHEMBL145947 OBDepict OH O N H H O HO O N NH 2 N H 2 N Ki = 0.005 nM 415.45 Nc1ncc(CCCCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c(N)n1 Homo sapiens CHEMBL669871 single protein format
CHEMBL34259 OBDepict OH O HN H O HO O N CH 3 N N N NH 2 N H 2 N Ki = 0.00519 nM 454.45 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL669872 single protein format
CHEMBL390990 OBDepict OH O N H O HO O N H N N N NH 2 N NH 2 Ki = 0.034 nM 452.43 Nc1nc(N)c2nc(CNc3ccc4c(c3)CN([C@@H](CCC(=O)O)C(=O)O)C4=O)cnc2n1 Homo sapiens CHEMBL919631 single protein format
CHEMBL388501 OBDepict OH O N O OH O N H N N N NH 2 N NH 2 Ki = 0.077 nM 452.43 Nc1nc(N)c2nc(CNc3ccc4c(c3)CN(C(CCC(=O)O)C(=O)O)C4=O)cnc2n1 Homo sapiens CHEMBL919631 single protein format
CHEMBL171765 OBDepict H 3 C N H 3 C H 3 C H 3 C N H 2 N N NH 2 Ki = 0.1 nM 311.43 CCC(CC)n1c(C(C)C)cc2c3c(N)nc(N)nc3ccc21 Homo sapiens CHEMBL669873 single protein format
CHEMBL369258 OBDepict CH 3 N H 3 C H 3 C CH 3 NH 2 N N H 2 N Ki = 0.1 nM 283.38 CCc1cc2c3c(N)nc(N)nc3ccc2n1C(C)(C)C Homo sapiens CHEMBL669873 single protein format
CHEMBL170760 OBDepict CH 3 N CH 3 CH 3 N NH 2 N H 2 N Ki = 0.1 nM 283.38 CCc1cc2c3c(N)nc(N)nc3ccc2n1C(C)CC Homo sapiens CHEMBL669873 single protein format
CHEMBL35364 OBDepict HO O N N N HN O N NH 2 N NH 2 O OH O OH Ki = 0.107 nM 526.51 Nc1nc(N)c2nc(CN(CCCC(=O)O)c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1 Homo sapiens CHEMBL664356 single protein format
CHEMBL443763 OBDepict OH O N H H O OH O N NH 2 N NH 2 Ki = 0.12 nM 401.42 Nc1ncc(CCCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c(N)n1 Homo sapiens CHEMBL669871 single protein format
CHEMBL284943 OBDepict OH O N N N HN O N NH 2 N NH 2 O OH O OH Ki = 0.131 nM 540.54 Nc1nc(N)c2nc(CN(CCCCC(=O)O)c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1 Homo sapiens CHEMBL664356 single protein format
CHEMBL35427 OBDepict HO O N N N NH O N NH 2 N H 2 N O OH O HO Ki = 0.183 nM 554.56 Nc1nc(N)c2nc(CN(CCCCCC(=O)O)c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1 Homo sapiens CHEMBL664356 single protein format
CHEMBL352960 OBDepict CH 3 N CH 3 CH 3 N NH 2 N H 2 N Ki = 0.2 nM 297.41 CCc1cc2c3c(N)nc(N)nc3ccc2n1C(CC)CC Homo sapiens CHEMBL669873 single protein format
CHEMBL170837 OBDepict H 2 N N N NH 2 N CH 3 CH 3 CH 3 H 3 C CH 3 Ki = 0.2 nM 297.41 CC(C)n1c(C(C)(C)C)cc2c3c(N)nc(N)nc3ccc21 Homo sapiens CHEMBL669873 single protein format
CHEMBL354249 OBDepict OH O N H H 3 C O HO O HN N NH 2 N H 2 N Ki = 0.29 nM 456.5 C[C@](CCC(=O)O)(NC(=O)c1ccc(CCC2CNc3nc(N)nc(N)c3C2)cc1)C(=O)O Homo sapiens CHEMBL666805 single protein format
CHEMBL170758 OBDepict CH 3 N CH 3 CH 3 N NH 2 N H 2 N Ki = 0.3 nM 283.38 CCC(CC)n1c(C)cc2c3c(N)nc(N)nc3ccc21 Homo sapiens CHEMBL669873 single protein format
CHEMBL251427 OBDepict NH 2 N N NH 2 O F IC50 = 0.39 nM 284.29 Nc1nc(N)c2c(OCc3ccccc3F)cccc2n1 Homo sapiens CHEMBL944098 single protein format
CHEMBL171494 OBDepict H 3 C N CH 3 H 3 C NH 2 N N H 2 N Ki = 0.4 nM 311.43 CCCc1cc2c3c(N)nc(N)nc3ccc2n1C(CC)CC Homo sapiens CHEMBL669873 single protein format
CHEMBL424170 OBDepict CH 3 N CH 3 CH 3 CH 3 N NH 2 N H 2 N Ki = 0.4 nM 283.38 CCC(C)(C)n1c(C)cc2c3c(N)nc(N)nc3ccc21 Homo sapiens CHEMBL669873 single protein format
CHEMBL162476 OBDepict OH O N H O HO O N H NH 2 N N H 2 N Ki = 0.54 nM 438.44 Nc1nc(N)c2c(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cccc2n1 Homo sapiens CHEMBL821382 single protein format
CHEMBL168069 OBDepict HO O N H H 3 C O OH O S NH N H 2 N N NH 2 Ki = 0.69 nM 462.53 C[C@](CCC(=O)O)(NC(=O)c1ccc(CCC2CNc3nc(N)nc(N)c3C2)s1)C(=O)O Homo sapiens CHEMBL666805 single protein format
CHEMBL301030 OBDepict CH 3 O CH 3 CH 3 N NH 2 N H 2 N Ki = 0.8 nM 310.4 C/C=C/c1cc(Cc2cnc(N)nc2N)cc(/C=C/C)c1OC Homo sapiens CHEMBL665868 single protein format
CHEMBL34259 OBDepict OH O HN H O HO O N CH 3 N N N NH 2 N H 2 N IC50 = 0.82 nM 454.45 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL668277 cell-based format
CHEMBL349572 OBDepict OH O HN H F H O O HO N CH 3 N N N NH 2 N H 2 N IC50 = 0.84 nM 472.44 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](C[C@@H](F)C(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL668271 cell-based format
CHEMBL83644 OBDepict H 2 N F F HN O OH O N CH 3 N N N NH 2 N H 2 N IC50 = 1.3 nM 475.46 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CC(F)(F)CN)C(=O)O)cc1 Homo sapiens CHEMBL668278 cell-based format
CHEMBL2261432 OBDepict CH 3 O CH 3 N N H S O HO IC50 = 1.3 nM 318.4 CC(=O)C1=C(C)N=C(SCCC(=O)O)NC1c1ccccc1 Homo sapiens CHEMBL3056824 single protein format
CHEMBL160699 OBDepict OH O F F HN O OH O N CH 3 N N N NH 2 N H 2 N IC50 = 1.34 nM 490.43 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(C(=O)O)C(F)(F)CC(=O)O)cc1 Homo sapiens CHEMBL668272 cell-based format
CHEMBL160505 OBDepict OH O HN O F O OH N CH 3 N N N NH 2 N H 2 N IC50 = 1.35 nM 472.44 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CC(F)C(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL668271 cell-based format
CHEMBL38053 OBDepict CH 3 O O H 3 C N CH 3 N NH 2 N H 2 N IC50 = 1.5 nM 325.37 COc1cc(Cc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1 Homo sapiens CHEMBL668280 assay format
CHEMBL38434 OBDepict F N O HO H 3 C F IC50 = 1.8 nM 375.37 Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)O Homo sapiens CHEMBL4006962 assay format
CHEMBL74592 OBDepict H 3 C S N N Cl N H 2 N N H 2 N IC50 = 2.0 nM 374.9 CSc1c2n(c3cc(Cl)ccc13)CCN(Cc1cnc(N)nc1N)C2 Homo sapiens CHEMBL665665 single protein format
CHEMBL150317 OBDepict NH 2 N N NH 2 N CH 3 N H Cl IC50 = 2.0 nM 364.84 Cc1c(CNc2ccc(Cl)c3ccccc23)cnc2nc(N)nc(N)c12 Homo sapiens CHEMBL669986 single protein format
CHEMBL3747216 OBDepict F HN N N N N H HN N N N CH 3 O IC50 = 2.0 nM 553.65 Cc1nc2ccc(Nc3nc(NCCN4CCOCC4)nc(Nc4ccc(F)cc4)n3)cc2n1Cc1ccccc1 Homo sapiens CHEMBL3750438 assay format
CHEMBL170654 OBDepict CH 3 N CH 3 CH 3 N NH 2 N H 2 N Ki < 2.0 nM 269.35 CCn1c(C(C)C)cc2c3c(N)nc(N)nc3ccc21 Homo sapiens CHEMBL669873 single protein format
CHEMBL171305 OBDepict NH 2 N N H 2 N N H H 3 C CH 3 H 3 C Ki < 2.0 nM 255.32 CC(C)(C)c1cc2c(ccc3nc(N)nc(N)c32)[nH]1 Homo sapiens CHEMBL669873 single protein format
CHEMBL224946 OBDepict OH O N H O HO O N CH 3 N N N NH 2 N H 2 N Ki = 2.1 nM 466.46 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc2c(c1)CN([C@@H](CCC(=O)O)C(=O)O)C2=O Homo sapiens CHEMBL919631 single protein format
CHEMBL36083 OBDepict NH 2 NH O OH O N CH 3 N N N NH 2 N NH 2 IC50 = 2.5 nM 439.48 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCCN)C(=O)O)cc1 Homo sapiens CHEMBL668278 cell-based format
CHEMBL4091106 OBDepict NH 2 N N NH 2 N O O O ClH IC50 = 2.6 nM 498.03 Cl.NC1=NC2(CCCC2)N(OCCCCOc2cccc(C(=O)/C=C/c3ccccc3)c2)C(N)=N1 Homo sapiens CHEMBL4008609 single protein format
CHEMBL281648 OBDepict CH 3 O NH F F F N CH 3 N NH 2 N H 2 N IC50 = 2.7 nM 378.36 COc1ccc(C(F)(F)F)cc1NCc1cnc2nc(N)nc(N)c2c1C Homo sapiens CHEMBL669986 single protein format
CHEMBL150470 OBDepict Cl H 3 C N H N CH 3 N NH 2 N H 2 N IC50 = 2.8 nM 328.81 Cc1cc(Cl)ccc1NCc1cnc2nc(N)nc(N)c2c1C Homo sapiens CHEMBL669986 single protein format
CHEMBL3128013 OBDepict H 2 N N N NH 2 N CH 3 N N S CH 3 CH 3 Ki = 2.9 nM 401.5 Cc1cc2nc(-c3nccs3)n(-c3cc4nc(N)nc(N)c4cc3C)c2cc1C Homo sapiens CHEMBL3130225 single protein format
CHEMBL7492 OBDepict CH 3 O O CH 3 N CH 3 N NH 2 N H 2 N IC50 = 3.0 nM 325.37 COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Homo sapiens CHEMBL2384165 single protein format
CHEMBL151674 OBDepict H 2 N N N NH 2 N CH 3 NH Br F F F IC50 = 3.2 nM 427.23 Cc1c(CNc2cc(C(F)(F)F)ccc2Br)cnc2nc(N)nc(N)c12 Homo sapiens CHEMBL669986 single protein format
CHEMBL4071967 OBDepict NH 2 N N H 2 N N CH 3 CH 3 O O O ClH IC50 = 3.2 nM 457.96 CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(/C=C/C(=O)c2ccccc2)c1.Cl Homo sapiens CHEMBL4008609 single protein format
CHEMBL4098945 OBDepict NH 2 N N NH 2 N H 3 C H 3 C O O O ClH IC50 = 3.4 nM 471.99 CC1(C)N=C(N)N=C(N)N1OCCCCOc1ccc(C(=O)/C=C/c2ccccc2)cc1.Cl Homo sapiens CHEMBL4008609 single protein format
CHEMBL148577 OBDepict CH 3 N H N NH 2 N N H 2 N O CH 3 F F F IC50 = 3.6 nM 392.39 CCc1c(CNc2cc(C(F)(F)F)ccc2OC)cnc2nc(N)nc(N)c12 Homo sapiens CHEMBL669986 single protein format
CHEMBL148814 OBDepict H 2 N N N NH 2 N CH 3 N H Br CH 3 IC50 = 3.7 nM 373.26 Cc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1Br Homo sapiens CHEMBL669986 single protein format
CHEMBL3974488 OBDepict NH 2 N N NH 2 N O O O CH 3 CH 3 CH 3 BrH IC50 = 3.72 nM 470.41 Br.CC(C)(C)c1ccc(OCCCON2C(N)=NC(N)=NC23CCOCC3)cc1 Homo sapiens CHEMBL3878855 single protein format
CHEMBL359144 OBDepict NH 2 N N H 2 N N H 3 C NH IC50 = 3.8 nM 404.48 Cc1c(CNc2ccc3ccc4cccc5ccc2c3c45)cnc2nc(N)nc(N)c12 Homo sapiens CHEMBL669986 single protein format
CHEMBL4099755 OBDepict NH 2 N N NH 2 N H 3 C H 3 C O O O ClH IC50 = 3.9 nM 459.98 CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(C(=O)CCc2ccccc2)c1.Cl Homo sapiens CHEMBL4008609 single protein format
CHEMBL346666 OBDepict NH 2 N N NH 2 N CH 3 N H N IC50 = 4.0 nM 331.38 Cc1c(CNc2cccc3cnccc23)cnc2nc(N)nc(N)c12 Homo sapiens CHEMBL669986 single protein format
CHEMBL308758 OBDepict H 2 N N N NH 2 N CH 3 N H 3 C IC50 = 4.0 nM 372.48 CC1c2ccc3c4ccccc4n(C)c3c2CCN1Cc1cnc(N)nc1N Homo sapiens CHEMBL665665 single protein format
CHEMBL4060570 OBDepict NH 2 N N NH 2 N H 3 C H 3 C O O O ClH IC50 = 4.0 nM 471.99 CC1(C)N=C(N)N=C(N)N1OCCCCOc1ccc(/C=C/C(=O)c2ccccc2)cc1.Cl Homo sapiens CHEMBL4008609 single protein format
CHEMBL75944 OBDepict NH 2 N N H 2 N N N H IC50 = 4.0 nM 294.36 Nc1ncc(CN2CCc3c([nH]c4ccccc34)C2)c(N)n1 Homo sapiens CHEMBL665665 single protein format
CHEMBL3943671 OBDepict NH 2 N N H 2 N N O S O Cl Cl ClH IC50 = 4.08 nM 454.81 Cl.NC1=NC2(CCSCC2)N(OCCCOc2ccc(Cl)cc2Cl)C(N)=N1 Homo sapiens CHEMBL3878855 single protein format
CHEMBL293263 OBDepict OH O N H H O OH O N N N NH 2 N NH 2 IC50 = 4.1 nM 439.43 Nc1nc(N)c2nc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1 Homo sapiens CHEMBL668094 single protein format
CHEMBL358884 OBDepict H 2 N N N NH 2 N CH 3 NH F F F F IC50 = 4.1 nM 366.32 Cc1c(CNc2cc(C(F)(F)F)ccc2F)cnc2nc(N)nc(N)c12 Homo sapiens CHEMBL669986 single protein format
CHEMBL4082453 OBDepict NH 2 N N NH 2 N H 3 C H 3 C O O O ClH IC50 = 4.2 nM 471.99 CC1(C)N=C(N)N=C(N)N1OCCCCOc1cccc(C(=O)/C=C/c2ccccc2)c1.Cl Homo sapiens CHEMBL4008609 single protein format
CHEMBL23867 OBDepict NH 2 N N NH 2 N CH 3 N H IC50 = 4.3 nM 330.39 Cc1c(CNc2cccc3ccccc23)cnc2nc(N)nc(N)c12 Homo sapiens CHEMBL669986 single protein format
CHEMBL151958 OBDepict NH 2 N N NH 2 N CH 3 N H N IC50 = 4.3 nM 331.38 Cc1c(CNc2cccc3ncccc23)cnc2nc(N)nc(N)c12 Homo sapiens CHEMBL669986 single protein format
CHEMBL296373 OBDepict CH 3 N N N H O N NH 2 N H H 2 N O OH O OH IC50 = 4.4 nM 467.49 CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL668094 single protein format
CHEMBL318721 OBDepict CH 3 N CH 3 N NH 2 N H 2 N Ki = 4.5 nM 269.35 CCC(CC)n1ccc2c3c(N)nc(N)nc3ccc21 Homo sapiens CHEMBL669873 single protein format
CHEMBL1818128 OBDepict H 3 C O CH 3 N NH 2 N H 2 N Ki = 4.5 nM 344.42 CCOc1ccc2ccccc2c1-c1cc2nc(N)nc(N)c2cc1C Homo sapiens CHEMBL1821392 single protein format
CHEMBL147131 OBDepict Br N H Br N CH 3 N NH 2 N H 2 N IC50 = 4.6 nM 438.13 Cc1c(CNc2cc(Br)ccc2Br)cnc2nc(N)nc(N)c12 Homo sapiens CHEMBL669986 single protein format
CHEMBL2382330 OBDepict CH 3 O O N CH 3 O CH 3 CH 3 N N H 2 N N NH 2 IC50 = 4.6 nM 356.39 COc1cc(N(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Homo sapiens CHEMBL2384165 single protein format
CHEMBL23532 OBDepict CH 3 O O N H CH 3 O H 3 C N CH 3 N NH 2 N H 2 N IC50 = 4.7 nM 370.41 COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1OC Homo sapiens CHEMBL669986 single protein format
CHEMBL2382329 OBDepict CH 3 O N CH 3 O CH 3 N N NH 2 N H 2 N IC50 = 4.7 nM 326.36 COc1ccc(OC)c(N(C)c2cnc3nc(N)nc(N)c3c2)c1 Homo sapiens CHEMBL2384165 single protein format
CHEMBL4101407 OBDepict H 2 N N N NH 2 N CH 3 CH 3 O O O ClH IC50 = 4.8 nM 471.99 CC1(C)N=C(N)N=C(N)N1OCCCCOc1cccc(/C=C/C(=O)c2ccccc2)c1.Cl Homo sapiens CHEMBL4008609 single protein format
CHEMBL81820 OBDepict H 2 N N N NH 2 N CH 3 N H Cl Cl IC50 = 5.0 nM 349.23 Cc1c(CNc2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Homo sapiens CHEMBL669986 single protein format
CHEMBL283518 OBDepict CH 3 O O NH H 3 C N CH 3 N NH 2 N H 2 N IC50 = 5.1 nM 340.39 COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1OC Homo sapiens CHEMBL669986 single protein format
CHEMBL147124 OBDepict H 2 N N N NH 2 N CH 3 N H CH 3 Cl IC50 = 5.2 nM 328.81 Cc1c(Cl)cccc1NCc1cnc2nc(N)nc(N)c2c1C Homo sapiens CHEMBL669986 single protein format
CHEMBL307820 OBDepict OH O HO HN O OH O N CH 3 N N N NH 2 N H 2 N IC50 = 5.3 nM 470.45 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(C(=O)O)C(O)CC(=O)O)cc1 Homo sapiens CHEMBL668094 single protein format
CHEMBL4080801 OBDepict H 2 N N N NH 2 N CH 3 CH 3 O O ClH IC50 = 5.3 nM 327.82 CC1(C)N=C(N)N=C(N)N1OCCCOc1ccccc1.Cl Homo sapiens CHEMBL4008609 single protein format
CHEMBL164845 OBDepict NH 2 N N H 2 N Ki = 5.4 nM 262.32 Nc1nc(N)c2c(/C=C/c3ccccc3)cccc2n1 Homo sapiens CHEMBL874093 single protein format
CHEMBL23963 OBDepict CH 3 O N H F F F N CH 3 N NH 2 N H 2 N IC50 = 5.5 nM 378.36 COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(C(F)(F)F)c1 Homo sapiens CHEMBL669986 single protein format
CHEMBL2382334 OBDepict H 2 N N N NH 2 N N CH 3 IC50 = 5.6 nM 316.37 CN(c1cnc2nc(N)nc(N)c2c1)c1cccc2ccccc12 Homo sapiens CHEMBL2384165 single protein format
CHEMBL1818127 OBDepict H 3 C O N N H H 2 N N H 2 N S O O CH 3 Ki = 5.8 nM 449.54 CCOc1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1-c1ccc2c(N)nc(N)nc2c1 Homo sapiens CHEMBL1821392 single protein format
CHEMBL308279 OBDepict CH 3 N N N H O N H 2 N N NH 2 O HO H 2 C O HO IC50 = 5.8 nM 479.5 C=C(CC(NC(=O)c1ccc(C(CC)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)C(=O)O Homo sapiens CHEMBL668094 single protein format
CHEMBL3787137 OBDepict OH N N O N H O NH Ki = 5.83 nM 576.66 O=C1Nc2ccccc2/C1=C/c1cn(CC(O)Cn2cc(/C=C3C(=O)Nc4ccccc43)c3ccccc32)c2ccccc12 Homo sapiens CHEMBL3789540 single protein format
CHEMBL148877 OBDepict Br H 3 C N H N CH 3 N NH 2 N H 2 N IC50 = 5.9 nM 373.26 Cc1cc(Br)ccc1NCc1cnc2nc(N)nc(N)c2c1C Homo sapiens CHEMBL669986 single protein format
CHEMBL73267 OBDepict OH O OH HN O HO O N N N NH 2 N H 2 N IC50 = 5.9 nM 455.43 Nc1nc(N)c2nc(CCc3ccc(C(=O)NC(C(=O)O)C(O)CC(=O)O)cc3)cnc2n1 Homo sapiens CHEMBL668094 single protein format
CHEMBL353621 OBDepict CH 3 O O CH 3 O N CH 3 N NH 2 N H 2 N Ki = 6.0 nM 379.42 COc1cc(Cn2ccc3c4c(N)nc(N)nc4ccc32)cc(OC)c1OC Homo sapiens CHEMBL669873 single protein format
CHEMBL78104 OBDepict CH 3 O N + N N NH 2 N O _ O H 2 N IC50 = 6.0 nM 406.45 COc1ccc2c(c1)CN(Cc1cnc(N)nc1N)CC2c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL665665 single protein format
CHEMBL147256 OBDepict Cl NH CH 3 N CH 3 N NH 2 N H 2 N IC50 = 6.1 nM 328.81 Cc1ccc(Cl)cc1NCc1cnc2nc(N)nc(N)c2c1C Homo sapiens CHEMBL669986 single protein format
CHEMBL150382 OBDepict H 2 N N N NH 2 N CH 3 N H CH 3 Br IC50 = 6.1 nM 373.26 Cc1cc(NCc2cnc3nc(N)nc(N)c3c2C)ccc1Br Homo sapiens CHEMBL669986 single protein format
CHEMBL4070144 OBDepict H 2 N N N NH 2 N O O O ClH IC50 = 6.1 nM 484.0 Cl.NC1=NC2(CCCC2)N(OCCCOc2cccc(C(=O)/C=C/c3ccccc3)c2)C(N)=N1 Homo sapiens CHEMBL4008609 single protein format
CHEMBL151451 OBDepict H 2 N N N NH 2 N CH 3 HN IC50 = 6.2 nM 404.48 Cc1c(CNc2ccc3c4c(cccc24)-c2ccccc2-3)cnc2nc(N)nc(N)c12 Homo sapiens CHEMBL669986 single protein format
CHEMBL173617 OBDepict NH 2 N N H 2 N N H 3 C CH 3 H 3 C Ki = 6.4 nM 255.32 Cc1cc2c3c(N)nc(N)nc3ccc2n1C(C)C Homo sapiens CHEMBL669873 single protein format
CHEMBL65616 OBDepict OH O NH O CH 2 O HO N CH 3 N N N NH 2 N H 2 N IC50 = 6.4 nM 466.46 C=C(CC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)C(=O)O Homo sapiens CHEMBL668094 single protein format