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Q9Y5Z0 | BACE2_HUMAN | Beta-secretase 2 (BACE2)

3D structures mapped by conservation among orthologs

[ Domain: "acid protease" // Asp_C_1 ]

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[ Domain: "acid protease" // Asp_N ]

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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
CHEMBL3672916 OBDepict Cl N HN O F H 3 C N H S NH N O O CH 3 Ki = 0.22 nM 425.87 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS1(=O)=O Homo sapiens CHEMBL3707535 single protein format
CHEMBL3952769 OBDepict Cl S CH 3 N H S NH N O O CH 3 N N O Ki = 0.24 nM 478.0 CN1C(=N)N[C@](C)(c2sc(-c3cccc(-c4noc(C5CC5)n4)c3)cc2Cl)CS1(=O)=O Homo sapiens CHEMBL3888914 single protein format
CHEMBL3942915 OBDepict F S O N N Cl CH 3 N H S NH N O O CH 3 Ki = 0.28 nM 455.92 CN1C(=N)N[C@](C)(c2sc(-c3cc(F)cc(-c4nnco4)c3)cc2Cl)CS1(=O)=O Homo sapiens CHEMBL3888914 single protein format
CHEMBL3938241 OBDepict Cl N N H O F CH 3 N H S NH O O Ki = 0.3 nM 464.95 C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS(=O)(=O)C2(CCCC2)C(=N)N1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3936864 OBDepict F N N H O F CH 3 N H S NH O O Ki = 0.3 nM 448.5 C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS(=O)(=O)C2(CCCC2)C(=N)N1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3962846 OBDepict NH N H N CH 3 S CH 3 O O S Cl N N O Ki = 0.31 nM 437.93 CN1C(=N)N[C@](C)(c2sc(-c3cncc(-c4ncco4)c3)cc2Cl)CS1(=O)=O Homo sapiens CHEMBL3888914 single protein format
CHEMBL3917788 OBDepict H 3 C O N N H O F H 3 C N H S NH O O N + N O _ O Ki = 0.32 nM 568.59 COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C4(CN(c5ccc([N+](=O)[O-])cc5)C4)C(=N)N3)c2)nc1 Homo sapiens CHEMBL3889106 single protein format
CHEMBL3908329 OBDepict NH N H N CH 3 S CH 3 O O S F N N O Ki = 0.34 nM 421.48 CN1C(=N)N[C@](C)(c2sc(-c3cccc(-c4ncon4)c3)cc2F)CS1(=O)=O Homo sapiens CHEMBL3888914 single protein format
CHEMBL3933178 OBDepict NH N H N CH 3 S CH 3 O O S F N N H Ki = 0.35 nM 419.51 CN1C(=N)N[C@](C)(c2sc(-c3cccc(-c4cc[nH]n4)c3)cc2F)CS1(=O)=O Homo sapiens CHEMBL3888914 single protein format
CHEMBL3892420 OBDepict NH NH N CH 3 S H 3 C O O S Cl N N O CH 3 Ki = 0.35 nM 451.96 Cc1nc(-c2cccc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)N(C)C(=N)N4)s3)c2)no1 Homo sapiens CHEMBL3888914 single protein format
CHEMBL3259832 OBDepict CH 3 N S Cl CH 3 HN S HN N O O CH 3 Ki = 0.37 nM 408.94 CC#Cc1cncc(-c2cc(Cl)c([C@]3(C)CS(=O)(=O)N(C)C(=N)N3)s2)c1 Homo sapiens CHEMBL3707535 single protein format
CHEMBL3301601 OBDepict F N HN O F H 3 C N H S NH N O O CH 3 Ki = 0.37 nM 409.42 CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O Homo sapiens CHEMBL3707535 single protein format
CHEMBL3903468 OBDepict CH 3 N S HN HN O O H 3 C F N H O N Cl Ki = 0.4 nM 465.94 CN1CC2(C1)C(=N)N[C@](C)(c1cc(NC(=O)c3ccc(Cl)cn3)ccc1F)CS2(=O)=O Homo sapiens CHEMBL3889106 single protein format
CHEMBL3973607 OBDepict Cl N N H O F CH 3 N H S NH O O Ki = 0.4 nM 436.9 C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS(=O)(=O)C2(CC2)C(=N)N1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3939857 OBDepict NH N H N CH 3 S CH 3 O O S Cl N N O Ki = 0.41 nM 437.93 CN1C(=N)N[C@](C)(c2sc(-c3cccc(-c4ncon4)c3)cc2Cl)CS1(=O)=O Homo sapiens CHEMBL3888914 single protein format
CHEMBL3672920 OBDepict CH 3 N NH O F H 3 C NH S NH N O O H 3 C Ki = 0.45 nM 405.46 Cc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(=N)N3)c2)nc1 Homo sapiens CHEMBL3707535 single protein format
CHEMBL3702860 OBDepict F N HN O F F H 3 C N H S NH N O O CH 3 Ki = 0.47 nM 427.41 CN1C(=N)N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(F)cn3)c2F)CS1(=O)=O Homo sapiens CHEMBL3706084 single protein format
CHEMBL3973232 OBDepict F N F N H O F CH 3 N H S NH O O Ki = 0.5 nM 438.43 C[C@@]1(c2cc(NC(=O)c3ncc(F)cc3F)ccc2F)CS(=O)(=O)C2(CC2)C(=N)N1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL4128375 OBDepict Br N N N H O F N H H S HN N O O H 3 C Ki = 0.5 nM 547.41 CN1C(=N)N[C@@]2(c3cc(NC(=O)c4nccc5cc(Br)cnc45)ccc3F)CCC[C@H]2S1(=O)=O Homo sapiens CHEMBL4119789 single protein format
CHEMBL3925463 OBDepict N N F F N H O F H 3 C HN S HN O O N CH 3 Ki = 0.5 nM 506.51 CN1CC2(C1)C(=N)N[C@](C)(c1cc(NC(=O)c3ncc(C#N)cc3C(F)F)ccc1F)CS2(=O)=O Homo sapiens CHEMBL3889106 single protein format
CHEMBL3905233 OBDepict H 3 C O N NH O F H 3 C N H S NH O O N Ki = 0.6 nM 537.62 COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C4(CN(Cc5ccccc5)C4)C(=N)N3)c2)nc1 Homo sapiens CHEMBL3889106 single protein format
CHEMBL3942552 OBDepict H 3 C O N N H O F CH 3 N H S HN O O Ki = 0.6 nM 460.53 COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C4(CCCC4)C(=N)N3)c2)nc1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3910228 OBDepict NH N H N CH 3 S CH 3 O O S F N O N Ki = 0.63 nM 421.48 CN1C(=N)N[C@](C)(c2sc(-c3cccc(-c4ncno4)c3)cc2F)CS1(=O)=O Homo sapiens CHEMBL3888914 single protein format
CHEMBL3951262 OBDepict HN N H N H 3 C S H 3 C O O S Cl N H Ki = 0.69 nM 434.97 CN1C(=N)N[C@](C)(c2sc(-c3ccc(-c4ccccc4)[nH]3)cc2Cl)CS1(=O)=O Homo sapiens CHEMBL3888943 single protein format
CHEMBL3949563 OBDepict NH N H N CH 3 S CH 3 O O S F N O Ki = 0.73 nM 420.49 CN1C(=N)N[C@](C)(c2sc(-c3cccc(-c4ncco4)c3)cc2F)CS1(=O)=O Homo sapiens CHEMBL3888914 single protein format
CHEMBL3895721 OBDepict N N N H O F H 3 C HN S HN O O N CH 3 Ki = 0.8 nM 496.57 CN1CC2(C1)C(=N)N[C@](C)(c1cc(NC(=O)c3ncc(C#N)cc3C3CC3)ccc1F)CS2(=O)=O Homo sapiens CHEMBL3889106 single protein format
CHEMBL3985208 OBDepict Cl N Cl N H O F CH 3 N H S NH O O Ki = 0.8 nM 499.4 C[C@@]1(c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)CS(=O)(=O)C2(CCCC2)C(=N)N1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3936730 OBDepict F N N H O F CH 3 N H S NH O O Ki = 0.9 nM 420.44 C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS(=O)(=O)C2(CC2)C(=N)N1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3917191 OBDepict H 3 C O N H 3 C NH O F H 3 C N H S NH O O N CH 3 Ki = 0.9 nM 475.55 COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C4(CN(C)C4)C(=N)N3)c2)c(C)c1 Homo sapiens CHEMBL3889106 single protein format
CHEMBL3981858 OBDepict H 3 C O N H S Cl CH 3 HN S NH O O O Ki = 0.9 nM 480.01 COc1cccc2cc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)[C@]5(CCOC5)C(=N)N4)s3)[nH]c12 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3680854 OBDepict Cl N HN O F CH 3 N H F NH 2 O IC50 = 1.0 nM 380.78 C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)OC[C@@H]1F Homo sapiens CHEMBL3707954 cell-based format
CHEMBL3680863 OBDepict H 2 N O N CH 3 H F F HN O N F F IC50 = 1.0 nM 396.34 C[C@]1(c2cc(NC(=O)c3ccc(C(F)F)cn3)ccc2F)N=C(N)OC[C@@H]1F Homo sapiens CHEMBL3707954 cell-based format
CHEMBL4760131 OBDepict CH 3 O S H NH 2 N F F NH O N Cl IC50 = 1.0 nM 452.91 COC[C@]12C[C@H]1[C@@](CF)(c1cc(NC(=O)c3ccc(Cl)cn3)ccc1F)N=C(N)S2 Homo sapiens CHEMBL4726145 single protein format
CHEMBL4127283 OBDepict F N CH 3 N H O F N H H S HN N O O H 3 C Ki = 1.0 nM 449.48 Cc1cc(F)cnc1C(=O)Nc1ccc(F)c([C@]23CCC[C@H]2S(=O)(=O)N(C)C(=N)N3)c1 Homo sapiens CHEMBL4119789 single protein format
CHEMBL3922651 OBDepict N N CH 3 N H O F CH 3 N H S HN O O N H 3 C Ki = 1.0 nM 470.53 Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)C3(CN(C)C3)C(=N)N2)c1 Homo sapiens CHEMBL3889106 single protein format
CHEMBL2151181 OBDepict CH 3 N S Cl CH 3 HN HN N O CH 3 Ki < 1.0 nM 372.88 CC#Cc1cncc(-c2cc(Cl)c([C@]3(C)CC(=O)N(C)C(=N)N3)s2)c1 Homo sapiens CHEMBL2155066 single protein format
CHEMBL3960086 OBDepict Cl N N H O F CH 3 HN S HN OH N H CH 3 CH 3 Ki = 1.0 nM 494.04 CC1(C)C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS1(O)NCC1CC1 Homo sapiens CHEMBL3888941 single protein format
CHEMBL4109582 OBDepict F N N H O F N H O H S HN O O H 3 C CH 3 Ki = 1.0 nM 450.47 CC1(C)C(=N)N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2S1(=O)=O Homo sapiens CHEMBL3888702 single protein format
CHEMBL3905209 OBDepict NH N H N CH 3 S CH 3 O O S F N N O Ki = 1.0 nM 421.48 CN1C(=N)N[C@](C)(c2sc(-c3cncc(-c4ncco4)c3)cc2F)CS1(=O)=O Homo sapiens CHEMBL3888914 single protein format
CHEMBL3933652 OBDepict CH 3 O HN S OH H 3 C H 3 C CH 3 N H HN F HN O N Cl Ki = 1.0 nM 498.02 COCCNS1(O)C[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)NC(=N)C1(C)C Homo sapiens CHEMBL3888941 single protein format
CHEMBL3939154 OBDepict F NH S OH CH 3 CH 3 CH 3 HN HN F HN O N Cl Ki = 1.0 nM 485.99 CC1(C)C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS1(O)NCCF Homo sapiens CHEMBL3888941 single protein format
CHEMBL3895258 OBDepict CH 3 O N H S Cl CH 3 N H S HN O O Ki = 1.0 nM 449.99 COc1cccc2cc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)C5(CC5)C(=N)N4)s3)[nH]c12 Homo sapiens CHEMBL3887513 single protein format
CHEMBL4111708 OBDepict Cl N N H O F N H O H S HN O O H 3 C CH 3 Ki = 1.0 nM 466.92 CC1(C)C(=N)N[C@@]2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)COC[C@H]2S1(=O)=O Homo sapiens CHEMBL3888702 single protein format
CHEMBL3670372 OBDepict Cl N Cl HN O N F H 3 C N O NH 2 CH 3 F F F IC50 = 1.0 nM 480.25 C[C@@]1(c2nc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1 Homo sapiens CHEMBL3706268 assay format
CHEMBL4112190 OBDepict CH 3 O N H 3 C N H O F N H O H S NH O O CH 3 CH 3 Ki = 1.0 nM 450.49 Cc1nc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(=N)N4)c2)c(C)o1 Homo sapiens CHEMBL3888702 single protein format
CHEMBL4108212 OBDepict Cl N F N H O F N H O H S HN O O H 3 C CH 3 Ki = 1.0 nM 484.91 CC1(C)C(=N)N[C@@]2(c3cc(NC(=O)c4ncc(Cl)cc4F)ccc3F)COC[C@H]2S1(=O)=O Homo sapiens CHEMBL3888702 single protein format
CHEMBL3920380 OBDepict CH 3 NH S HO N CH 3 H 3 C N H NH F NH O N Cl Ki = 1.0 nM 440.93 CNS1(O)C[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)NC(=N)N1C Homo sapiens CHEMBL3888968 single protein format
CHEMBL4110277 OBDepict F O H S N H O O H 3 C CH 3 NH F N H O N Cl Ki = 1.0 nM 498.94 CC1(C)C(=N)N[C@@]2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)COC(CF)[C@H]2S1(=O)=O Homo sapiens CHEMBL3888702 single protein format
CHEMBL4112004 OBDepict F O H S N H O O H 3 C CH 3 NH F N H O N F Ki = 1.0 nM 482.48 CC1(C)C(=N)N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC(CF)[C@H]2S1(=O)=O Homo sapiens CHEMBL3888702 single protein format
CHEMBL4107791 OBDepict HN N H H 3 C H 3 C S O O O H F N H O N N F F Ki = 1.0 nM 471.46 CC1(C)C(=N)N[C@@]2(c3cc(NC(=O)c4ccn(C(F)F)n4)ccc3F)COC[C@H]2S1(=O)=O Homo sapiens CHEMBL3888702 single protein format
CHEMBL3986336 OBDepict Cl N HN S F H 3 C N H S NH N O O CH 3 Ki = 1.0 nM 441.94 CN1C(=N)N[C@](C)(c2cc(NC(=S)c3ccc(Cl)cn3)ccc2F)CS1(=O)=O Homo sapiens CHEMBL3889054 single protein format
CHEMBL4127711 OBDepict Cl N N H O F N H H S HN N O O H 3 C Ki = 1.0 nM 451.91 CN1C(=N)N[C@@]2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)CCC[C@H]2S1(=O)=O Homo sapiens CHEMBL4119789 single protein format
CHEMBL4129654 OBDepict Cl N F N H O F N H H S HN N O O H 3 C Ki = 1.0 nM 469.9 CN1C(=N)N[C@@]2(c3cc(NC(=O)c4ncc(Cl)cc4F)ccc3F)CCC[C@H]2S1(=O)=O Homo sapiens CHEMBL4119789 single protein format
CHEMBL3976028 OBDepict CH 3 O N H S Cl CH 3 NH S NH O O Ki = 1.0 nM 464.01 COc1cccc2cc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)C5(CCC5)C(=N)N4)s3)[nH]c12 Homo sapiens CHEMBL3887513 single protein format
CHEMBL4109231 OBDepict HN N H H 3 C H 3 C S O O O H F N H O N S N Ki = 1.0 nM 439.49 CC1(C)C(=N)N[C@@]2(c3cc(NC(=O)c4cnsn4)ccc3F)COC[C@H]2S1(=O)=O Homo sapiens CHEMBL3888702 single protein format
CHEMBL4126365 OBDepict F N F N H O F N H H S HN N O O H 3 C Ki = 1.0 nM 453.45 CN1C(=N)N[C@@]2(c3cc(NC(=O)c4ncc(F)cc4F)ccc3F)CCC[C@H]2S1(=O)=O Homo sapiens CHEMBL4119789 single protein format
CHEMBL4112573 OBDepict F CH 3 S HN N H O O H O F N H O N F Ki = 1.0 nM 530.53 C[C@@]1(c2ccc(F)cc2)C(=N)N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2S1(=O)=O Homo sapiens CHEMBL3888702 single protein format
CHEMBL4113267 OBDepict CH 3 O N CH 3 N H O F N H O H S NH O O CH 3 H 3 C Ki = 1.0 nM 476.53 COc1cnc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(=N)N4)c2)c(C)c1 Homo sapiens CHEMBL3888702 single protein format
CHEMBL4113105 OBDepict N N N H O F N H O H S HN O O H 3 C CH 3 Ki = 1.0 nM 457.49 CC1(C)C(=N)N[C@@]2(c3cc(NC(=O)c4ccc(C#N)cn4)ccc3F)COC[C@H]2S1(=O)=O Homo sapiens CHEMBL3888702 single protein format
CHEMBL3902472 OBDepict CH 3 HN S OH H 3 C H 3 C CH 3 N H HN F HN O N Cl Ki = 1.0 nM 468.0 CCNS1(O)C[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)NC(=N)C1(C)C Homo sapiens CHEMBL3888941 single protein format
CHEMBL3956676 OBDepict H 3 C HN S OH H 3 C H 3 C CH 3 N H HN F HN O N Cl Ki = 1.0 nM 453.97 CNS1(O)C[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)NC(=N)C1(C)C Homo sapiens CHEMBL3888941 single protein format
CHEMBL4110175 OBDepict N N CH 3 N H O F N H O H S HN O O H 3 C CH 3 Ki = 1.0 nM 471.51 Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c1 Homo sapiens CHEMBL3888702 single protein format
CHEMBL3898071 OBDepict H 3 C O N N H O F H 3 C N H S NH O O N O H 3 C Ki = 1.1 nM 489.53 COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C4(CN(C(C)=O)C4)C(=N)N3)c2)nc1 Homo sapiens CHEMBL3889106 single protein format
CHEMBL3935772 OBDepict HN HN N CH 3 S CH 3 O O S Cl N O N N H 3 C Ki = 1.1 nM 452.95 Cc1noc(-c2cc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)N(C)C(=N)N4)s3)ccn2)n1 Homo sapiens CHEMBL3888914 single protein format
CHEMBL3961454 OBDepict NH NH N CH 3 S H 3 C O O S F N N O CH 3 Ki = 1.1 nM 435.51 Cc1nc(-c2cccc(-c3cc(F)c([C@]4(C)CS(=O)(=O)N(C)C(=N)N4)s3)c2)no1 Homo sapiens CHEMBL3888914 single protein format
CHEMBL3975362 OBDepict CH 3 N S HN HN O O H 3 C F N H O N F Ki = 1.2 nM 449.48 CN1CC2(C1)C(=N)N[C@](C)(c1cc(NC(=O)c3ccc(F)cn3)ccc1F)CS2(=O)=O Homo sapiens CHEMBL3889106 single protein format
CHEMBL3913650 OBDepict Cl N Cl HN O F H 3 C N H S NH O O O Ki = 1.2 nM 515.39 C[C@@]1(c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)CS(=O)(=O)C2(CCOCC2)C(=N)N1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3919398 OBDepict Cl N N H O F CH 3 N H S NH O O O Ki = 1.3 nM 466.92 C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3900066 OBDepict CH 3 O N N N H O F H 3 C NH S NH O O Ki = 1.3 nM 435.48 Cc1nc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C4(CCCC4)C(=N)N3)c2)no1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL4114170 OBDepict Cl N N H O F N H O H S HN N O O H 3 C Ki = 1.3 nM 453.88 CN1C(=N)N[C@@]2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)COC[C@H]2S1(=O)=O Homo sapiens CHEMBL3887769 single protein format
CHEMBL3913634 OBDepict F S O N N F CH 3 N H S NH N O O CH 3 Ki = 1.3 nM 439.47 CN1C(=N)N[C@](C)(c2sc(-c3cc(F)cc(-c4nnco4)c3)cc2F)CS1(=O)=O Homo sapiens CHEMBL3888914 single protein format
CHEMBL3969079 OBDepict Cl N F HN O F H 3 C N H S NH O O O Ki = 1.4 nM 498.94 C[C@@]1(c2cc(NC(=O)c3ncc(Cl)cc3F)ccc2F)CS(=O)(=O)C2(CCOCC2)C(=N)N1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3891425 OBDepict NH N H N CH 3 S CH 3 O O S Cl N O Ki = 1.4 nM 436.95 CN1C(=N)N[C@](C)(c2sc(-c3cccc(-c4ncco4)c3)cc2Cl)CS1(=O)=O Homo sapiens CHEMBL3888914 single protein format
CHEMBL3913535 OBDepict N N N H O F H 3 C HN S HN O O N CH 3 Ki = 1.4 nM 456.5 CN1CC2(C1)C(=N)N[C@](C)(c1cc(NC(=O)c3ccc(C#N)cn3)ccc1F)CS2(=O)=O Homo sapiens CHEMBL3889106 single protein format
CHEMBL3914810 OBDepict H 3 C O N H S Cl CH 3 HN S NH O O O Ki = 1.5 nM 480.01 COc1cccc2cc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)[C@@]5(CCOC5)C(=N)N4)s3)[nH]c12 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3945094 OBDepict F O N N H O F H 3 C HN S HN O O N CH 3 Ki = 1.5 nM 479.51 CN1CC2(C1)C(=N)N[C@](C)(c1cc(NC(=O)c3ccc(OCF)cn3)ccc1F)CS2(=O)=O Homo sapiens CHEMBL3889106 single protein format
CHEMBL3948118 OBDepict H 3 C O N N N H O F CH 3 N H S HN O O Ki = 1.5 nM 461.52 COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C4(CCCC4)C(=N)N3)c2)cn1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3983399 OBDepict Cl N HN O F H 3 C N H S NH O O O Ki = 1.6 nM 480.95 C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS(=O)(=O)C2(CCOCC2)C(=N)N1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3944761 OBDepict NH N H N CH 3 S CH 3 O O S Cl N N Ki = 1.6 nM 435.96 CN1C(=N)N[C@](C)(c2sc(-c3cccc(-n4cccn4)c3)cc2Cl)CS1(=O)=O Homo sapiens CHEMBL3888914 single protein format
CHEMBL3921452 OBDepict NH N H N CH 3 S CH 3 O O S Cl Ki = 1.6 nM 446.0 CN1C(=N)N[C@](C)(c2sc(-c3cccc(-c4ccccc4)c3)cc2Cl)CS1(=O)=O Homo sapiens CHEMBL3888914 single protein format
CHEMBL3937168 OBDepict H 3 C O N NH O F H 3 C N H S NH O O N CH 3 Ki = 1.6 nM 461.52 COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C4(CN(C)C4)C(=N)N3)c2)nc1 Homo sapiens CHEMBL3889106 single protein format
CHEMBL4106980 OBDepict CH 3 O N F N N H 3 C S N H O O N H 3 C HN F N H O N F Ki = 1.6 nM 576.56 COc1nc(N2CC3[C@](c4cc(NC(=O)c5ccc(F)cn5)ccc4F)(C2)NC(=N)N(C)S3(=O)=O)nc(C)c1F Homo sapiens CHEMBL3887313 single protein format
CHEMBL3891094 OBDepict F N N H O F H 3 C N H S NH O O H OH Ki = 1.7 nM 450.47 C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS(=O)(=O)[C@]2(C[C@H](O)C2)C(=N)N1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL4114907 OBDepict CH 3 O O N N H 3 C N H H S O O N NH F CH 3 F Ki = 1.7 nM 467.5 COCc1cc(OC)nc(N2C[C@@H]3[C@](c4cc(F)ccc4F)(C2)NC(=N)N(C)S3(=O)=O)c1 Homo sapiens CHEMBL3887313 single protein format
CHEMBL3956741 OBDepict CH 3 N H N O S HN HN O O H 3 C F N H O N O CH 3 Ki = 1.7 nM 504.54 CNC(=O)N1CC2(C1)C(=N)N[C@](C)(c1cc(NC(=O)c3ccc(OC)cn3)ccc1F)CS2(=O)=O Homo sapiens CHEMBL3889106 single protein format
CHEMBL3915974 OBDepict N N CH 3 HN O F CH 3 N H S HN O O HN Ki = 1.8 nM 456.5 Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)C3(CNC3)C(=N)N2)c1 Homo sapiens CHEMBL3889106 single protein format
CHEMBL3913185 OBDepict Cl N N H O F CH 3 N H S NH O O O Ki = 1.8 nM 466.92 C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3905648 OBDepict CH 3 O N N H O F CH 3 N H S HN O O Ki = 1.9 nM 432.48 COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C4(CC4)C(=N)N3)c2)nc1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL4108817 OBDepict F N N H O F N H O H S HN N O O H 3 C Ki = 1.9 nM 437.43 CN1C(=N)N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2S1(=O)=O Homo sapiens CHEMBL3887769 single protein format
CHEMBL3967867 OBDepict Cl N N H O F H 3 C N H S NH O O Ki = 1.9 nM 450.92 C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS(=O)(=O)C2(CCC2)C(=N)N1 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3672923 OBDepict CH 3 O N N N H O F H 3 C NH S NH N O O H 3 C Ki = 1.99 nM 422.44 COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(=N)N3)c2)cn1 Homo sapiens CHEMBL3707535 single protein format
CHEMBL4106918 OBDepict H 3 C N N N H O F N H O H S HN O O H 3 C H 3 C Ki = 2.0 nM 435.48 Cn1ccc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(=N)N4)c2)n1 Homo sapiens CHEMBL3888702 single protein format
CHEMBL4107780 OBDepict F N HN O F N H O H S HN H CH 3 O O H 3 C H 3 C Ki = 2.0 nM 464.49 C[C@H]1OC[C@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)NC(=N)C(C)(C)S(=O)(=O)[C@H]12 Homo sapiens CHEMBL3888702 single protein format
CHEMBL4114508 OBDepict CH O N N N H O F N H O H S NH O O CH 3 H 3 C Ki = 2.0 nM 487.51 C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(=N)N4)c2)cn1 Homo sapiens CHEMBL3888702 single protein format
CHEMBL4107721 OBDepict F O N N H O F N H O H S HN O O H 3 C CH 3 Ki = 2.0 nM 480.49 CC1(C)C(=N)N[C@@]2(c3cc(NC(=O)c4ccc(OCF)cn4)ccc3F)COC[C@H]2S1(=O)=O Homo sapiens CHEMBL3888702 single protein format
CHEMBL3948430 OBDepict H 3 C HN S OH H 3 C H 3 C CH 3 N H HN F HN O N F Ki = 2.0 nM 437.52 CNS1(O)C[C@@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)NC(=N)C1(C)C Homo sapiens CHEMBL3888941 single protein format
CHEMBL3958825 OBDepict H 3 C O N H S Cl CH 3 HN S NH O O Ki = 2.0 nM 492.07 COc1cccc2cc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)C5(CCCCC5)C(=N)N4)s3)[nH]c12 Homo sapiens CHEMBL3887513 single protein format
CHEMBL3903739 OBDepict CH 3 NH S HO N CH 3 H 3 C N H NH F NH O N F Ki = 2.0 nM 424.48 CNS1(O)C[C@@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)NC(=N)N1C Homo sapiens CHEMBL3888968 single protein format
CHEMBL3897828 OBDepict CH 3 O HN S F CH 3 HN S NH N O O CH 3 Ki = 2.0 nM 374.46 COCC(=S)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)N(C)C(=N)N2)c1 Homo sapiens CHEMBL3889054 single protein format
CHEMBL3949683 OBDepict H 3 C O N H S Cl CH 3 HN S NH O O O Ki = 2.0 nM 494.04 COc1cccc2cc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)C5(CCOCC5)C(=N)N4)s3)[nH]c12 Homo sapiens CHEMBL3887513 single protein format