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P41595 | 5HT2B_HUMAN | 5-hydroxytryptamine receptor 2B (HTR2B)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_2 ]

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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
CHEMBL3290767 OBDepict F N N H H O N O N Cl N H 3 C IC50 = -41900.0 nM 403.85 Cn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1Cl Homo sapiens CHEMBL3296313 single protein format
CHEMBL3310115 OBDepict H 2 N N NH 2 O OH Cl ClH Ki = 0.11 nM 338.19 Cl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1c(Cl)cccc1-2 Homo sapiens CHEMBL3373146 cell-based format
CHEMBL149024 OBDepict H 3 C NH 2 O O Br Ki = 0.19 nM 294.15 CC(N)Cc1c2ccoc2c(Br)c2ccoc12 Homo sapiens CHEMBL617504 single protein format
CHEMBL19215 OBDepict O O N H H N CH 3 H H N CH 3 Ki = 0.281 nM 403.53 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 Homo sapiens CHEMBL1909104 cell membrane format
CHEMBL1065 OBDepict CH 3 HN H OH O H N CH 3 H N H 3 C Ki = 0.358 nM 353.47 CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 Homo sapiens CHEMBL1909104 cell membrane format
CHEMBL1112 OBDepict O NH O N N Cl Cl Ki = 0.36 nM 448.39 O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1 Homo sapiens CHEMBL3821450 cell-based format
CHEMBL3092758 OBDepict NH 2 N H 2 N O O Ki = 0.4 nM 265.27 NC(N)=NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 Homo sapiens CHEMBL3095680 cell-based format
CHEMBL19215 OBDepict O O N H H N CH 3 H H N CH 3 IC50 = 0.442 nM 403.53 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 Homo sapiens CHEMBL1909104 cell membrane format
CHEMBL3343668 OBDepict NH 2 N H 2 N O ClH Ki = 0.51 nM 313.79 Cl.NC(N)=NC(=O)c1ccc2c(c1)C1(CC1)c1ccccc1-2 Homo sapiens CHEMBL3381335 cell-based format
CHEMBL2323581 OBDepict CH 3 O O H CH 3 N CH 3 H H N H 3 C Ki = 0.54 nM 314.43 COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 Homo sapiens CHEMBL2328669 cell-based format
CHEMBL1065 OBDepict CH 3 HN H OH O H N CH 3 H N H 3 C IC50 = 0.563 nM 353.47 CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 Homo sapiens CHEMBL1909104 cell membrane format
CHEMBL2165126 OBDepict O HN O N N Cl Cl Ki = 0.6 nM 462.42 O=C1CCc2ccc(OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)cc2N1 Homo sapiens CHEMBL2168909 single protein format
CHEMBL2165137 OBDepict Cl Cl N O N S Ki = 0.6 nM 435.42 Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl Homo sapiens CHEMBL2168909 single protein format
CHEMBL3310116 OBDepict NH 2 N H 2 N O OH CH 3 ClH Ki = 0.67 nM 317.78 Cc1cccc2c1C(O)c1cc(C(=O)N=C(N)N)ccc1-2.Cl Homo sapiens CHEMBL3373146 cell-based format
CHEMBL3310714 OBDepict H 3 C CH 3 OH N O NH 2 H 2 N ClH Ki = 0.71 nM 345.83 CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O.Cl Homo sapiens CHEMBL3373146 cell-based format
CHEMBL1201356 OBDepict CH 3 HN H OH O H N CH 3 H N H Ki = 0.8 nM 339.44 CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 Homo sapiens CHEMBL1285546 cell-based format
CHEMBL3310111 OBDepict NH 2 N H 2 N O OH CH 3 ClH Ki = 0.81 nM 317.78 Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O.Cl Homo sapiens CHEMBL3373146 cell-based format
CHEMBL3310121 OBDepict H 2 N NH NH O F ClH Ki = 0.9 nM 305.74 Cl.N=C(N)NC(=O)c1ccc2c(c1)C(F)c1ccccc1-2 Homo sapiens CHEMBL3373146 cell-based format
CHEMBL3310112 OBDepict NH 2 N H 2 N O OH F ClH Ki = 0.91 nM 321.74 Cl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(F)c1-2 Homo sapiens CHEMBL3373146 cell-based format
CHEMBL2323580 OBDepict CH 3 N CH 3 HN O H N CH 3 H H N H 3 C Ki = 0.97 nM 368.53 CN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 Homo sapiens CHEMBL2328669 cell-based format
CHEMBL4752099 OBDepict CH 3 O N N H 3 C CH 3 NH Ki = 1.0 nM 285.39 COc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1 Homo sapiens CHEMBL4677344 single protein format
CHEMBL4784845 OBDepict Cl N N H 3 C CH 3 HN Ki = 1.0 nM 289.81 CC(C)n1nc2c(c1-c1ccc(Cl)cc1)CCNCC2 Homo sapiens CHEMBL4677344 single protein format
CHEMBL2323579 OBDepict H 3 C N H N O O H N N CH 3 H CH 3 H 3 C H N H 3 C Ki = 1.0 nM 439.6 CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 Homo sapiens CHEMBL2328669 cell-based format
CHEMBL272082 OBDepict CH 3 N N N H Ki = 1.0 nM 307.44 Cc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 Homo sapiens CHEMBL934033 cell-based format
CHEMBL3092760 OBDepict NH 2 N H 2 N O ClH Ki = 1.1 nM 287.75 Cl.NC(N)=NC(=O)c1cccc2c1Cc1ccccc1-2 Homo sapiens CHEMBL3095680 cell-based format
CHEMBL2165119 OBDepict O HN N O N N Cl Cl Ki = 1.1 nM 463.41 O=C1CCc2ccc(OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)nc2N1 Homo sapiens CHEMBL3887368 single protein format
CHEMBL3310713 OBDepict NH 2 N H 2 N O CH 3 OH CH 3 ClH Ki = 1.1 nM 331.8 Cc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2(C)O.Cl Homo sapiens CHEMBL3373146 cell-based format
CHEMBL305275 OBDepict Br O O H 2 N H 3 C H Ki = 1.15 nM 298.18 C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2 Homo sapiens CHEMBL617382 single protein format
CHEMBL1201087 OBDepict CH 2 N H H H N O N N H O H CH 3 N H 3 C CH 3 Ki = 1.4 nM 451.62 C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 Homo sapiens CHEMBL2328669 cell-based format
CHEMBL3310109 OBDepict NH 2 N H 2 N O OH Cl ClH Ki = 1.5 nM 338.19 Cl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cccc(Cl)c1-2 Homo sapiens CHEMBL3373146 cell-based format
CHEMBL1201356 OBDepict CH 3 HN H OH O H N CH 3 H N H IC50 = 1.505 nM 339.44 CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 Homo sapiens CHEMBL1909104 cell membrane format
CHEMBL3310113 OBDepict H 3 C OH N O NH 2 H 2 N Ki = 1.6 nM 295.34 CCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O Homo sapiens CHEMBL3373146 cell-based format
CHEMBL101008 OBDepict CH 3 NH 2 O O Br Ki = 1.6 nM 298.18 CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2 Homo sapiens CHEMBL617504 single protein format
CHEMBL4290245 OBDepict I N H N N H NH 2 N Ki = 1.7 nM 383.24 NC1=NC2(CCCCC2)NC(Nc2cccc(I)c2)=N1 Homo sapiens CHEMBL4269542 single protein format
CHEMBL197653 OBDepict H H 2 N H 3 C N N F OH Ki = 1.7 nM 209.22 C[C@H](N)Cn1ncc2ccc(O)c(F)c21 Homo sapiens CHEMBL863543 cell-based format
CHEMBL3310110 OBDepict Cl OH N O NH 2 NH 2 ClH Ki = 1.7 nM 338.19 Cl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1cc(Cl)ccc1-2 Homo sapiens CHEMBL3373146 cell-based format
CHEMBL3815112 OBDepict CH 3 O O CH 3 N O F O Ki = 1.7 nM 465.57 COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3c(c2)OCO3)cc1OC Homo sapiens CHEMBL3816813 single protein format
CHEMBL3343669 OBDepict H 2 N N NH 2 O ClH Ki = 1.7 nM 341.84 Cl.NC(N)=NC(=O)c1ccc2c(c1)C1(CCCC1)c1ccccc1-2 Homo sapiens CHEMBL3381335 cell-based format
CHEMBL3139188 OBDepict NH 2 N H 2 N O OH Ki = 1.8 nM 267.29 NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 Homo sapiens CHEMBL3373146 cell-based format
CHEMBL3092759 OBDepict H 2 N N NH 2 O OH ClH Ki = 1.8 nM 303.75 Cl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2 Homo sapiens CHEMBL3095680 cell-based format
CHEMBL3092753 OBDepict NH 2 N H 2 N O Ki = 1.8 nM 251.29 NC(N)=NC(=O)c1ccc2c(c1)Cc1ccccc1-2 Homo sapiens CHEMBL3095680 cell-based format
CHEMBL1200938 OBDepict OH O O OH CH 3 HN H OH O H N CH 3 H N H 3 C Ki = 1.9 nM 469.54 CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1.O=C(O)/C=CC(=O)O Homo sapiens CHEMBL4314361 single protein format
CHEMBL294951 OBDepict CH 3 N S Ki = 2.0 nM 295.45 CN1CCC(=C2c3ccccc3CCc3sccc32)CC1 Homo sapiens CHEMBL3095680 cell-based format
CHEMBL3343667 OBDepict CH 3 O O H 3 C N O H 2 N NH 2 ClH Ki = 2.0 nM 361.83 COCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl Homo sapiens CHEMBL3381335 cell-based format
CHEMBL2397890 OBDepict CH 3 O N H HN Ki = 2.0 nM 230.31 CCc1cccc2c1C(=O)N1CCNC[C@H]1C2 Homo sapiens CHEMBL2400231 cell-based format
CHEMBL4746737 OBDepict H 3 C N N H 3 C CH 3 NH Ki = 2.0 nM 269.39 Cc1ccc(-c2c3c(nn2C(C)C)CCNCC3)cc1 Homo sapiens CHEMBL4677344 single protein format
CHEMBL3092754 OBDepict NH 2 N H 2 N O O ClH Ki = 2.1 nM 289.72 Cl.NC(N)=NC(=O)c1ccc2c(c1)oc1ccccc12 Homo sapiens CHEMBL3095680 cell-based format
CHEMBL14022 OBDepict H 3 C N H N O O H N N CH 3 H CH 3 H 3 C H N H Ki = 2.2 nM 425.58 CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 Homo sapiens CHEMBL2328669 cell-based format
CHEMBL442 OBDepict H N H N CH 3 H HN O CH 3 O O N OH H N H O Ki = 2.203 nM 581.67 CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21 Homo sapiens CHEMBL1909104 cell membrane format
CHEMBL3092757 OBDepict NH 2 N NH 2 O O N H ClH Ki = 2.4 nM 304.74 Cl.NC(N)=NC(=O)c1ccc2c(c1)Oc1ccccc1N2 Homo sapiens CHEMBL3095680 cell-based format
CHEMBL4287193 OBDepict H 3 C N H 3 C O Br Ki = 2.5 nM 358.28 CN(C)CC/C=C1c2ccc(Br)cc2COc2ccccc21 Homo sapiens CHEMBL4269542 single protein format
CHEMBL269974 OBDepict CH 3 N N NH Ki = 2.5 nM 329.45 Cc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 Homo sapiens CHEMBL934033 cell-based format
CHEMBL407909 OBDepict H 3 C O N N NH 2 H 3 C H Ki = 2.5 nM 243.31 CCc1cc2c(ccc3cnn(C[C@H](C)N)c32)o1 Homo sapiens CHEMBL936731 cell-based format
CHEMBL119443 OBDepict HO NH H 3 C H O H N CH 3 H N H Ki = 2.634 nM 325.41 C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 Homo sapiens CHEMBL1909104 cell membrane format
CHEMBL3343672 OBDepict H 2 N N NH 2 O O Ki = 2.7 nM 307.35 NC(N)=NC(=O)c1ccc2c(c1)[C@]1(CCCO1)c1ccccc1-2 Homo sapiens CHEMBL3381335 cell-based format
CHEMBL12314 OBDepict H 3 C N H N H CH 3 H NH S N O O H 3 C H 3 C Ki = 2.8 nM 362.5 CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 Homo sapiens CHEMBL4396180 cell-based format
CHEMBL4282729 OBDepict H 3 C N H 3 C O Cl Ki = 3.0 nM 313.83 CN(C)CC/C=C1c2ccc(Cl)cc2COc2ccccc21 Homo sapiens CHEMBL4269542 single protein format
CHEMBL4788327 OBDepict NH N N Ki = 3.0 nM 267.38 c1ccc(-c2c3c(nn2C2CCC2)CCNCC3)cc1 Homo sapiens CHEMBL4677344 single protein format
CHEMBL3813796 OBDepict CH 3 O O CH 3 N O Cl O Ki = 3.1 nM 482.02 COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3c(c2)OCO3)cc1OC Homo sapiens CHEMBL3816813 single protein format
CHEMBL6616 OBDepict H 3 C O I O NH 2 H 3 C CH 3 IC50 = 3.2 nM 321.16 COc1cc(CC(C)N)c(OC)cc1I Homo sapiens CHEMBL2394825 single protein format
CHEMBL190699 OBDepict CH 3 Cl N H H 3 C H HN Ki = 3.2 nM 236.75 Cc1c(Cl)ccc2c1N1[C@H](C)CNC[C@H]1C2 Homo sapiens CHEMBL828758 single protein format
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 3.2 nM 583.78 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 Homo sapiens CHEMBL4121501 single protein format
CHEMBL157138 OBDepict H 3 C N N H O H 3 C H N CH 3 H N H Ki = 3.242 nM 338.46 CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 Homo sapiens CHEMBL1909104 cell membrane format
CHEMBL3343665 OBDepict CH 3 O H 3 C N O H 2 N NH 2 ClH Ki = 3.3 nM 331.8 COC1(C)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl Homo sapiens CHEMBL3381335 cell-based format
CHEMBL4294350 OBDepict NH 2 N H O O N N N NH 2 N N N O Ki = 3.36 nM 503.57 NCCCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 Homo sapiens CHEMBL4262958 cell-based format
CHEMBL513994 OBDepict N F N HN N N S Cl Ki = 3.4 nM 401.9 N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F Homo sapiens CHEMBL4342777 single protein format
CHEMBL3813726 OBDepict CH 3 O O CH 3 N O Br O Ki = 3.4 nM 526.47 COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC Homo sapiens CHEMBL3816813 single protein format
CHEMBL442 OBDepict H N H N CH 3 H HN O CH 3 O O N OH H N H O IC50 = 3.461 nM 581.67 CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21 Homo sapiens CHEMBL1909104 cell membrane format
CHEMBL4583909 OBDepict H 3 C H H 3 C H 2 N O Ki = 3.5 nM 241.33 CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N Homo sapiens CHEMBL4308609 cell-based format
CHEMBL3092756 OBDepict NH 2 N NH 2 O N H O ClH Ki = 3.6 nM 304.74 Cl.NC(N)=NC(=O)c1ccc2c(c1)Nc1ccccc1O2 Homo sapiens CHEMBL3095680 cell-based format
CHEMBL373245 OBDepict H H 2 N H 3 C N N Cl OH Ki = 3.8 nM 225.68 C[C@H](N)Cn1ncc2ccc(O)c(Cl)c21 Homo sapiens CHEMBL863543 cell-based format
CHEMBL4782005 OBDepict F N N HN Ki = 4.0 nM 285.37 Fc1ccc(-c2c3c(nn2C2CCC2)CCNCC3)cc1 Homo sapiens CHEMBL4677344 single protein format
CHEMBL2337501 OBDepict O N H H Cl HN H CH 3 ClH Ki = 4.0 nM 273.16 Cc1ccc2c(c1Cl)C(=O)N[C@H]1CNC[C@H]21.Cl Homo sapiens CHEMBL2339050 cell-based format
CHEMBL3735261 OBDepict CH 3 O O CH 3 N O O O O CH 3 O CH 3 CH 3 Ki = 4.1 nM 537.65 COc1ccc(CCN(CCCc2cc(OC)c(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1OC Homo sapiens CHEMBL3736695 cell-based format
CHEMBL119443 OBDepict HO NH H 3 C H O H N CH 3 H N H IC50 = 4.139 nM 325.41 C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 Homo sapiens CHEMBL1909104 cell membrane format
CHEMBL297784 OBDepict O N N H N N H 3 C Ki = 4.3 nM 292.34 Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 Homo sapiens CHEMBL1285546 cell-based format
CHEMBL3310123 OBDepict H 2 N N NH 2 O CH 3 OH ClH Ki = 4.3 nM 317.78 CC1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl Homo sapiens CHEMBL3373146 cell-based format
CHEMBL1732 OBDepict H N H N H CH 3 H HN O CH 3 O O N OH H N H O Ki = 4.33 nM 583.69 CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 Homo sapiens CHEMBL1909104 cell membrane format
CHEMBL3310122 OBDepict NH 2 N H 2 N O CH 3 ClH Ki = 4.4 nM 301.78 CC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl Homo sapiens CHEMBL3373146 cell-based format
CHEMBL4292326 OBDepict O N H N O N H Ki = 4.5 nM 451.57 O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 Homo sapiens CHEMBL4259742 cell-based format
CHEMBL3735911 OBDepict H 3 C O N O O O O CH 3 CH 3 Ki = 4.6 nM 477.6 COc1cccc(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1 Homo sapiens CHEMBL3736695 cell-based format
CHEMBL6437 OBDepict CH 3 N N Ki = 4.642 nM 264.37 CN1CCN2c3ccccc3Cc3ccccc3C2C1 Homo sapiens CHEMBL1909104 cell membrane format
CHEMBL3343666 OBDepict CH 3 O CH 3 N O H 2 N NH 2 ClH Ki = 4.8 nM 345.83 CCC1(OC)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl Homo sapiens CHEMBL3381335 cell-based format
CHEMBL401509 OBDepict CH 3 O N N N H Ki = 4.8 nM 323.44 COc1ccc(-c2nc(C3CCCC3)nc3c2CCNCC3)cc1 Homo sapiens CHEMBL934033 cell-based format
CHEMBL4791646 OBDepict CH 3 N H 3 C N HN F F F Ki = 5.0 nM 323.36 CC(C)n1nc2c(c1-c1ccc(C(F)(F)F)cc1)CCNCC2 Homo sapiens CHEMBL4677344 single protein format
CHEMBL157138 OBDepict H 3 C N N H O H 3 C H N CH 3 H N H IC50 = 5.095 nM 338.46 CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 Homo sapiens CHEMBL1909104 cell membrane format
CHEMBL76781 OBDepict F Cl N H 2 N H 3 C H Ki = 5.1 nM 226.68 C[C@H](N)Cn1ccc2cc(F)c(Cl)cc21 Homo sapiens CHEMBL617407 assay format
CHEMBL3343670 OBDepict H 2 N N NH 2 O O ClH Ki = 5.1 nM 343.81 Cl.NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2 Homo sapiens CHEMBL3381335 cell-based format
CHEMBL3343673 OBDepict H 2 N N NH 2 O O Ki = 5.1 nM 307.35 NC(N)=NC(=O)c1ccc2c(c1)[C@@]1(CCCO1)c1ccccc1-2 Homo sapiens CHEMBL3381335 cell-based format
CHEMBL12314 OBDepict H 3 C N H N H CH 3 H NH S N O O H 3 C H 3 C IC50 = 5.2 nM 362.5 CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 Homo sapiens CHEMBL4396180 cell-based format
CHEMBL133455 OBDepict H N NH 2 CH 3 H O Ki = 5.3 nM 230.31 C[C@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3 Homo sapiens CHEMBL617774 single protein format
CHEMBL147656 OBDepict NH 2 N H F Ki = 5.7 nM 190.22 NC1CC1c1c[nH]c2ccc(F)cc12 Homo sapiens CHEMBL617406 single protein format
CHEMBL198124 OBDepict CH 3 N OH N H 3 C CH 3 Ki = 5.8 nM 260.38 CCCCn1cc(CCN(C)C)c2c(O)cccc21 Homo sapiens CHEMBL882450 single protein format
CHEMBL3736149 OBDepict H 3 C O O CH 3 N O O O CH 3 Ki = 5.8 nM 477.6 COc1ccccc1CCCN(CCc1ccc(OC)c(OC)c1)CCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL3736695 cell-based format
CHEMBL2397891 OBDepict O N H NH Ki = 6.0 nM 242.32 O=C1c2c(cccc2C2CC2)C[C@@H]2CNCCN12 Homo sapiens CHEMBL2400231 cell-based format
CHEMBL201132 OBDepict H H 2 N H 3 C N N I OH Ki = 6.0 nM 317.13 C[C@H](N)Cn1ncc2ccc(O)c(I)c21 Homo sapiens CHEMBL863543 cell-based format
CHEMBL516 OBDepict CH 3 N Ki = 6.008 nM 287.41 CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1 Homo sapiens CHEMBL1909104 cell membrane format
CHEMBL3770342 OBDepict Br N H N N H NH 2 N Ki = 6.2 nM 336.24 NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 Homo sapiens CHEMBL3773612 single protein format
CHEMBL4293638 OBDepict Cl N H N N H NH 2 N Ki = 6.3 nM 291.79 NC1=NC2(CCCCC2)NC(Nc2cccc(Cl)c2)=N1 Homo sapiens CHEMBL4269542 single protein format
CHEMBL3310118 OBDepict H 3 C O OH N O NH 2 H 2 N ClH Ki = 6.3 nM 347.8 COCc1cccc2c1-c1ccc(C(=O)N=C(N)N)cc1C2O.Cl Homo sapiens CHEMBL3373146 cell-based format