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Q8TEK3 | DOT1L_HUMAN | "Histone-lysine N-methyltransferase, H3 lysine-79 specific" (DOT1L)

3D structures mapped by conservation among orthologs

[ Domain: "S-adenosyl-L-methionine-dependent methyltransferases" // DOT1 ]

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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
CHEMBL3087499 OBDepict H 3 C N CH 3 H O H OH H N H OH N N N N H N H 2 N H 3 C H 3 C H 3 C Ki < 0.07 nM 562.72 CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 Homo sapiens CHEMBL3090823 single protein format
CHEMBL3414626 OBDepict CH 3 N H 3 C H H O H H OH H N H OH N N N N H N H 2 N H 3 C CH 3 H 3 C Ki = 0.08 nM 562.72 CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 Homo sapiens CHEMBL3421227 single protein format
CHEMBL4590355 OBDepict H 3 C N H N N N H N CH 3 O N N N CH 3 Ki = 0.08 nM 476.54 CNc1ccnc(Nc2ccc3cc(C)n(-c4ccccc4Oc4cnc5c(c4)ncn5C)c3c2)n1 Homo sapiens CHEMBL4480297 single protein format
CHEMBL4435508 OBDepict CH 3 O N N N N H NH 2 N H S O O NH 2 H N Cl O O F F IC50 = 0.17 nM 592.97 COc1nc(N)nc(Nc2cc(S(N)(=O)=O)ccc2N[C@@H](c2cccc3c2OC(F)(F)O3)c2ncccc2Cl)n1 Homo sapiens CHEMBL4411171 single protein format
CHEMBL4534250 OBDepict CH 3 N H N N N H S Cl Cl N CH 3 N O N H 3 C Ki = 0.36 nM 524.44 CNc1ccnc(Nc2ccc3sc(Cl)c(-c4cc(-c5c(C)ncn(C)c5=O)cnc4Cl)c3c2)n1 Homo sapiens CHEMBL4480297 single protein format
CHEMBL2169919 OBDepict O N H N H N H 3 C H 3 C CH 3 H 3 C CH 3 H O H OH H N H OH N N NH 2 IC50 = 0.4 nM 539.68 CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL2173352 single protein format
CHEMBL4590355 OBDepict H 3 C N H N N N H N CH 3 O N N N CH 3 IC50 = 0.4 nM 476.54 CNc1ccnc(Nc2ccc3cc(C)n(-c4ccccc4Oc4cnc5c(c4)ncn5C)c3c2)n1 Homo sapiens CHEMBL4480297 single protein format
CHEMBL2171169 OBDepict O N H N H N H 3 C H 3 C CH 3 H 3 C CH 3 H O H OH H N H OH N N N NH 2 Ki = 0.46 nM 540.67 CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL4557484 OBDepict H 3 C O N N N NH O H 3 C N H S O O CH 3 H N F F Cl IC50 = 0.59 nM 562.99 COc1nc(Nc2cc(S(C)(=O)=O)ccc2N[C@@H](c2cccc(Cl)c2F)c2ncccc2F)nc(OC)n1 Homo sapiens CHEMBL4411171 single protein format
CHEMBL4106621 OBDepict CH 3 N H 3 C H H O H H OH H N H OH N N N H N H 2 N H 3 C CH 3 H 3 C IC50 = 0.59 nM 561.73 CC(C)N(C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 Homo sapiens CHEMBL3888978 single protein format
CHEMBL4114909 OBDepict H N N H H 3 C H 3 C CH 3 H N CH 3 H O H HO H N H OH N N NH 2 IC50 = 0.62 nM 533.68 CN(C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 Homo sapiens CHEMBL3888978 single protein format
CHEMBL4079133 OBDepict CH 3 N H 3 C H H O H H OH H N H OH N N N N H N H 2 N H 3 C CH 3 H 3 C IC50 = 0.73 nM 562.72 CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 Homo sapiens CHEMBL3888978 single protein format
CHEMBL2171170 OBDepict CH 3 N H N N N N H O H OH H H HO N H 3 C CH 3 NH N H O H 3 C CH 3 H 3 C Ki = 0.76 nM 554.7 CNc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCNC(=O)Nc2ccc(C(C)(C)C)cc2)C(C)C)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL4107547 OBDepict CH 3 N H 3 C H H O H H OH H N H OH N N N H N H 2 N O F F F IC50 = 0.8 nM 589.62 CC(C)N(C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1 Homo sapiens CHEMBL3888978 single protein format
CHEMBL3643720 OBDepict O N H N H N CH 3 CH 3 H 3 C CH 3 H 3 C O H OH H N H HO N N H 2 N IC50 < 1.0 nM 539.68 CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3705424 single protein format
CHEMBL3087503 OBDepict O N H N H N H 3 C H 3 C CH 3 H 3 C CH 3 H H OH H N H OH N N N NH 2 Ki = 1.1 nM 538.7 CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3090823 single protein format
CHEMBL3087502 OBDepict O N H N H N CH 3 CH 3 H 3 C CH 3 H 3 C H OH H N H HO N N N H 2 N Ki = 1.3 nM 536.68 CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1=C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3090823 single protein format
CHEMBL4534250 OBDepict CH 3 N H N N N H S Cl Cl N CH 3 N O N H 3 C IC50 = 1.4 nM 524.44 CNc1ccnc(Nc2ccc3sc(Cl)c(-c4cc(-c5c(C)ncn(C)c5=O)cnc4Cl)c3c2)n1 Homo sapiens CHEMBL4480297 single protein format
CHEMBL4108783 OBDepict CH 3 N H 3 C H H O H H OH H N H OH N N N N H N H 2 N O F F F IC50 = 2.18 nM 590.61 CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1 Homo sapiens CHEMBL3888978 single protein format
CHEMBL4115320 OBDepict H N N H H 3 C H 3 C CH 3 H N CH 3 H H HO H N H OH N N NH 2 IC50 = 2.51 nM 531.71 CN(C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 Homo sapiens CHEMBL3888978 single protein format
CHEMBL4107217 OBDepict CH 3 N H 3 C H H O H H OH H N H OH N N N N H N H 2 N O F F F IC50 = 2.92 nM 590.61 CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@H](CCc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1 Homo sapiens CHEMBL3888978 single protein format
CHEMBL3414626 OBDepict CH 3 N H 3 C H H O H H OH H N H OH N N N N H N H 2 N H 3 C CH 3 H 3 C IC50 = 3.5 nM 562.72 CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 Homo sapiens CHEMBL3421462 cell-based format
CHEMBL4448208 OBDepict NH 2 O N N HN N H S O O CH 3 H N F Cl IC50 = 3.9 nM 526.98 CS(=O)(=O)c1ccc(N[C@H](c2ccccn2)c2cccc(Cl)c2F)c(Nc2nccc(C(N)=O)n2)c1 Homo sapiens CHEMBL4411170 single protein format
CHEMBL3643719 OBDepict CH 3 N O H HO HN H N H HO HN O N N NH 2 CH 3 CH 3 CH 3 IC50 = 6.0 nM 511.63 CN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3705424 single protein format
CHEMBL4075482 OBDepict O N H N H N H 3 C H 3 C H 3 C CH 3 H H 3 C H 3 C H O H OH H N H OH N N N H 2 N IC50 = 6.34 nM 554.7 CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)[C@@H](C)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4048166 assay format
CHEMBL4549878 OBDepict CH 3 N H N N N H N H 3 C Cl N CH 3 O N H 3 C IC50 = 10.0 nM 485.98 CNc1ccnc(Nc2ccc3cc(C)n(-c4cc(-c5c(C)ccn(C)c5=O)cnc4Cl)c3c2)n1 Homo sapiens CHEMBL4480297 single protein format
CHEMBL3643721 OBDepict O N H N H N N H N H 3 C CH 3 H 3 C CH 3 H 3 C O H HO H N H OH N N NH 2 IC50 < 10.0 nM 579.71 CC(C)N(CCCNC(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1)CC1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3705424 single protein format
CHEMBL2171171 OBDepict H 2 C N H N N N N H O H OH H H HO N H 3 C CH 3 NH N H O H 3 C CH 3 H 3 C Ki = 12.0 nM 580.73 C=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCNC(=O)Nc2ccc(C(C)(C)C)cc2)C(C)C)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL3087500 OBDepict CH 3 N H O H HO NH H N H OH NH O N N N NH 2 H 3 C H 3 C CH 3 Ki = 13.0 nM 512.62 CN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3090823 single protein format
CHEMBL4452414 OBDepict OH N N OH N Cl Cl N NH 2 N IC50 = 14.0 nM 483.36 Nc1ncnc2ccc(N(CC#CC(O)c3nccn3CCO)c3c(Cl)cccc3Cl)cc12 Homo sapiens CHEMBL4432803 single protein format
CHEMBL4589340 OBDepict Cl F HN H N F N H S N N O O CH 3 IC50 = 16.0 nM 501.95 CS(=O)(=O)c1ccc(N[C@@H](c2cccc(Cl)c2F)c2ncccc2F)c(Nc2ncccn2)c1 Homo sapiens CHEMBL4411170 single protein format
CHEMBL4586619 OBDepict O HN N H N H O N N N N N Cl Cl IC50 = 20.0 nM 521.37 O=C(Cn1nnnc1-c1ccccc1Cl)NNC(=O)Nc1ccc2ccn(-c3ccccc3Cl)c2c1 Homo sapiens CHEMBL4480297 single protein format
CHEMBL4588797 OBDepict N N H 2 N N N H O H HO H H OH S H 2 N H O OH IC50 = 26.0 nM 408.44 N#Cc1cn([C@@H]2O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 Homo sapiens CHEMBL4479551 single protein format
CHEMBL4559614 OBDepict O N H N H N H 3 C H 3 C CH 3 H 3 C CH 3 H O H OH H N H OH N Cl N NH 2 IC50 = 28.2 nM 574.13 CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cc(Cl)c3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4479562 single protein format
CHEMBL2349526 OBDepict NH 2 N N Br N H O H OH H H HO S NH 2 H O HO Ki = 38.0 nM 462.33 Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2350637 assay format
CHEMBL3087638 OBDepict I N H O H OH H N H HO NH 2 H O HO N N N H 2 N IC50 = 38.0 nM 535.34 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3090823 single protein format
CHEMBL4436922 OBDepict CH 3 N N Cl Cl N H 2 N N IC50 = 47.0 nM 434.33 Cc1ccc(C#CCN(c2ccc3ncnc(N)c3c2)c2c(Cl)cccc2Cl)nc1 Homo sapiens CHEMBL4432803 single protein format
CHEMBL2170997 OBDepict O N H N H S F F F H O H HO H N H HO N N N NH 2 Ki = 58.0 nM 527.53 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL2170993 OBDepict CH 3 N H N N N N H O H OH H H HO S NH N H O H 3 C CH 3 H 3 C Ki = 70.0 nM 529.67 CNc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(C(C)(C)C)cc2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL3087504 OBDepict O N H N H S H 3 C H 3 C CH 3 H O H OH H N H OH N N N NH 2 Ki = 70.0 nM 515.64 CC(C)(C)c1ccc(NC(=O)NCCCSC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1 Homo sapiens CHEMBL3090823 single protein format
CHEMBL2349526 OBDepict NH 2 N N Br N H O H OH H H HO S NH 2 H O HO IC50 = 77.0 nM 462.33 Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2350637 assay format
CHEMBL2171002 OBDepict O N H N H S F F F F F F H O H HO H N H HO N N N NH 2 Ki = 80.0 nM 595.53 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL2170994 OBDepict O N H N H S Cl H O H HO H N H HO N N N NH 2 Ki = 82.0 nM 493.98 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(Cl)cc2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL4548823 OBDepict CH 3 N N N Cl Cl N O N H 3 C IC50 = 89.0 nM 450.33 Cc1ncc(C#CCN(c2ccc3ncn(C)c(=O)c3c2)c2c(Cl)cccc2Cl)cn1 Homo sapiens CHEMBL4432803 single protein format
CHEMBL4587469 OBDepict Cl F HN H N N H S N N O O CH 3 IC50 = 97.0 nM 483.96 CS(=O)(=O)c1ccc(N[C@H](c2ccccn2)c2cccc(Cl)c2F)c(Nc2ncccn2)c1 Homo sapiens CHEMBL4411170 single protein format
CHEMBL2171169 OBDepict O N H N H N H 3 C H 3 C CH 3 H 3 C CH 3 H O H OH H N H OH N N N NH 2 IC50 = 100.0 nM 540.67 CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4048166 assay format
CHEMBL4460191 OBDepict CH 3 N N H CH 3 HN O H O H HO H N H OH N N CH 3 CH 3 CH 3 N NH 2 IC50 < 100.0 nM 526.64 CC(CNC(=O)Nc1ccc(C(C)(C)C)cc1)CN(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4401282 cell-based format
CHEMBL2172427 OBDepict I N H O H OH H N H HO NH 2 H O HO N N N N H H 3 C IC50 = 120.0 nM 549.37 CNc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2173380 assay format
CHEMBL2171000 OBDepict CH 3 HN N H O S H O H HO H N H HO N N N H 2 N Ki = 130.0 nM 487.59 CCc1cccc(NC(=O)NCCCSC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1 Homo sapiens CHEMBL2175616 single protein format
CHEMBL2170998 OBDepict O N H N H S O F F F H O H HO H N H HO N N N NH 2 Ki = 140.0 nM 543.53 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL4577516 OBDepict CH 3 N H N N N H N H 3 C O IC50 = 150.0 nM 421.5 CNc1ccnc(Nc2ccc3cc(C)n(-c4ccccc4Oc4ccccc4)c3c2)n1 Homo sapiens CHEMBL4480297 single protein format
CHEMBL418052 OBDepict NH 2 N N N N H O H OH H H HO S NH 2 H O HO Ki = 160.0 nM 384.42 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL45041 OBDepict H 2 N O OH S H O H HO H N H HO N N N NH 2 IC50 = 170.0 nM 384.42 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCC(N)C(=O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4222305 assay format
CHEMBL2170995 OBDepict O N H N H S Br H O H HO H N H HO N N N NH 2 Ki = 190.0 nM 538.43 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(Br)cc2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL2170996 OBDepict O N H N H S I H O H HO H N H HO N N N NH 2 Ki = 270.0 nM 585.43 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(I)cc2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL4531049 OBDepict Cl HN H N N H S N N O O CH 3 IC50 = 270.0 nM 465.97 CS(=O)(=O)c1ccc(N[C@@H](c2cccc(Cl)c2)c2ccccn2)c(Nc2ncccn2)c1 Homo sapiens CHEMBL4411170 single protein format
CHEMBL4573709 OBDepict CH 3 N H N N N H N H 3 C Cl N IC50 = 280.0 nM 364.84 CNc1ccnc(Nc2ccc3cc(C)n(-c4cccnc4Cl)c3c2)n1 Homo sapiens CHEMBL4480297 single protein format
CHEMBL2171174 OBDepict CH 3 N H N N N N H O H OH H H HO S NH 2 H O HO Ki = 290.0 nM 398.45 CNc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL2169919 OBDepict O N H N H N H 3 C H 3 C CH 3 H 3 C CH 3 H O H OH H N H OH N N NH 2 Ki = 300.0 nM 539.68 CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL2173352 single protein format
CHEMBL2170992 OBDepict O N H N H S CH 3 H 3 C H O H OH H N H OH N N N NH 2 Ki = 350.0 nM 501.61 CC(C)c1ccc(NC(=O)NCCCSC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1 Homo sapiens CHEMBL2175616 single protein format
CHEMBL2170989 OBDepict O N H N H S H O H HO H N H HO N N N NH 2 Ki = 550.0 nM 459.53 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccccc2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL418052 OBDepict NH 2 N N N N H O H OH H H HO S NH 2 H O HO IC50 = 600.0 nM 384.42 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2350637 assay format
CHEMBL2170999 OBDepict CH 3 HN N H O S H O H HO H N H HO N N N H 2 N Ki = 690.0 nM 487.59 CCc1ccccc1NC(=O)NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL4095543 OBDepict H N N CH 3 CH 3 CH 3 HN CH 3 H H O H HO H N H HO N N N H 2 N IC50 = 690.0 nM 534.67 C[C@H](NC1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4048166 assay format
CHEMBL4446348 OBDepict Cl N Cl N O N CH 3 N IC50 = 840.0 nM 435.31 Cn1cnc2ccc(N(CC#Cc3cccnc3)c3c(Cl)cccc3Cl)cc2c1=O Homo sapiens CHEMBL4432803 single protein format
CHEMBL4475242 OBDepict CH N Cl Cl N H 2 N N IC50 = 920.0 nM 343.22 C#CCN(c1ccc2ncnc(N)c2c1)c1c(Cl)cccc1Cl Homo sapiens CHEMBL4432803 single protein format
CHEMBL2171001 OBDepict O N H N H F S F H O H HO H N H HO N N N NH 2 Ki = 1000.0 nM 495.51 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2175616 single protein format
CHEMBL4765125 OBDepict O HN N N N N NH O N N NH 2 H 3 C H 3 C CH 3 IC50 = 1000.0 nM 461.53 CC(C)(C)c1ccc(NC(=O)c2ncn(CC(=O)NCCn3ccc4c(N)ncnc43)n2)cc1 Homo sapiens CHEMBL4684500 assay format
CHEMBL3643722 OBDepict O N H N H N H H 3 C H 3 C CH 3 H O H OH H N H OH N N NH 2 IC50 < 1000.0 nM 497.6 CC(C)(C)c1ccc(NC(=O)NCCCNC[C@@H]2O[C@H](n3ccc4c(N)ncnc43)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL3705424 single protein format
CHEMBL3646209 OBDepict O N H N H N H 3 C H 3 C CH 3 O CH 3 H O H OH H N H OH N N NH 2 IC50 < 1000.0 nM 539.64 CC(=O)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3705424 single protein format