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P08913 | ADA2A_HUMAN | Alpha-2A adrenergic receptor (ADRA2A)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL435352 OBDepict CH 3 O O O N O H H N N CH 3 Ki = 0.1 nM 477.61 COCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL176261 OBDepict CH 3 N CH 3 O O N O H H N N CH 3 Ki = 0.1 nM 490.65 C/C(=Cc1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OCCN(C)C)cc4OC[C@H]32)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL157138 OBDepict H 3 C N N H O H 3 C H N CH 3 H N H Ki = 0.116 nM 338.46 CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 Homo sapiens CHEMBL1909088 cell membrane format
CHEMBL180470 OBDepict CH 3 N N H O N H O OH Ki = 0.2 nM 419.53 C/C(=Cc1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(O)cc4OC[C@H]32)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL100879 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C S Ki = 0.3 nM 469.61 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4cccs4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL319119 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C F F Ki = 0.3 nM 499.56 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cc(F)ccc4F)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL419316 OBDepict H 3 C O O CH 3 O N O H H N N CH 3 Ki = 0.3 nM 463.58 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccccc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL157138 OBDepict H 3 C N N H O H 3 C H N CH 3 H N H IC50 = 0.31 nM 338.46 CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 Homo sapiens CHEMBL1909088 cell membrane format
CHEMBL1732 OBDepict H N H N H CH 3 H HN O CH 3 O O N OH H N H O Ki = 0.387 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 CHEMBL1909088 cell membrane format
CHEMBL176116 OBDepict H 3 C O O O N O H H N N H 3 C Ki = 0.4 nM 461.56 CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL15245 OBDepict H 3 C O O H H OH H H H N N H Ki = 0.42 nM 354.45 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 Homo sapiens CHEMBL647963 cell-based format
CHEMBL176002 OBDepict CH 3 O O N O H H N N CH 3 Ki = 0.5 nM 433.55 COc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL319530 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C O Ki = 0.5 nM 453.54 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccco4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL90247 OBDepict CH 3 O O N O N N Ki = 0.5 nM 419.53 COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1 Homo sapiens CHEMBL647723 single protein format
CHEMBL513389 OBDepict CH 3 N H CH 3 CH 3 HO O CH 3 IC50 = 0.5 nM 277.41 Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 Homo sapiens CHEMBL2395774 single protein format
CHEMBL175853 OBDepict H 3 C O O O O N O H H N N H 3 C Ki = 0.7 nM 491.59 COCC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL442 OBDepict H N H N CH 3 H HN O CH 3 O O N OH H N H O Ki = 0.796 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 CHEMBL1909088 cell membrane format
CHEMBL422597 OBDepict H 3 C O O N O N N Ki = 0.8 nM 419.53 COc1ccc2c(c1)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 Homo sapiens CHEMBL647723 single protein format
CHEMBL93171 OBDepict H 3 C O O CH 3 O N O N N H 3 C Ki = 0.8 nM 463.58 COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CO2 Homo sapiens CHEMBL647723 single protein format
CHEMBL91157 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C Ki = 0.8 nM 463.58 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL2112978 OBDepict H O N N H O N Ki = 0.9 nM 389.5 C(=C/c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccccc4OC[C@H]32)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL90943 OBDepict N N O N O Ki = 0.9 nM 389.5 C(=C/c1ccccc1)CN1CCN(CC2ON=C3c4ccccc4OCC32)CC1 Homo sapiens CHEMBL647723 single protein format
CHEMBL180322 OBDepict H 2 C O O O N O H H N N H 3 C Ki = 0.9 nM 473.57 C=CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL175911 OBDepict CH 3 N N H O N H O O O Ki = 0.9 nM 487.6 C/C(=Cc1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C5CC5)cc4OC[C@H]32)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL1627 OBDepict CH 3 NH O N HO Cl Ki = 1.0 nM 463.02 CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL1025630 single protein format
CHEMBL99868 OBDepict H 3 C O O H 3 C O N O H H N N CH 3 O CH 3 Ki = 1.0 nM 493.6 COc1ccccc1/C=C(C)CN1CCN(C[C@@H]2ON=C3c4cc(OC)c(OC)cc4OC[C@H]32)CC1 Homo sapiens CHEMBL647724 single protein format
CHEMBL425324 OBDepict CH 3 N N H O N H O O O N Ki = 1.0 nM 524.62 C/C(=Cc1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)c5ccncc5)cc4OC[C@H]32)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL1732 OBDepict H N H N H CH 3 H HN O CH 3 O O N OH H N H O IC50 = 1.032 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 CHEMBL1909088 cell membrane format
CHEMBL263424 OBDepict CH 3 O O H 3 C O N O H H N N CH 3 F Ki = 1.1 nM 481.57 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL101596 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C S Ki = 1.1 nM 469.61 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccsc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL298936 OBDepict CH 3 N H NH O N H N Ki = 1.2 nM 232.29 Cc1c(NC2=NCCN2)ccc2c1NCCO2 Homo sapiens CHEMBL647722 cell-based format
CHEMBL369378 OBDepict CH 3 N N H O N H O O Ki = 1.3 nM 487.64 C/C(=Cc1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC5CCCC5)cc4OC[C@H]32)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL179237 OBDepict H 3 C O O O O N O H H N N H 3 C Ki = 1.3 nM 535.69 CCOCCOCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL327875 OBDepict CH 3 O O H 3 C O N O N N CH 3 Ki = 1.4 nM 463.58 COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C(C)c4ccccc4)CC3)C1CO2 Homo sapiens CHEMBL647723 single protein format
CHEMBL328195 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C S Ki = 1.4 nM 469.61 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccsc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL133231 OBDepict NH 2 O N Cl Ki = 1.6 nM 236.7 NC1=NC2(CCc3cccc(Cl)c3C2)CO1 Homo sapiens CHEMBL648169 assay format
CHEMBL1085510 OBDepict CH 3 N N H O N N Ki = 1.6 nM 402.54 CN1CC2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 Homo sapiens CHEMBL1119141 single protein format
CHEMBL2112970 OBDepict H 3 C N H N H O N N Ki = 1.6 nM 402.54 CN1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 Homo sapiens CHEMBL838833 single protein format
CHEMBL1221498 OBDepict CH 3 O N N HN O Ki = 1.69 nM 389.5 COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 Homo sapiens CHEMBL1227761 single protein format
CHEMBL308570 OBDepict CH 3 N H O O N N H Ki = 1.7 nM 231.25 Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 Homo sapiens CHEMBL647965 cell-based format
CHEMBL98646 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C S Ki = 1.7 nM 469.61 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccs4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL99916 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C O Ki = 1.7 nM 453.54 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccco4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL2112972 OBDepict CH 3 O N O H H N N Ki = 1.8 nM 439.56 COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL537669 OBDepict H 3 C O O H H OH H H H N N H ClH Ki = 1.8 nM 390.91 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21.Cl Homo sapiens CHEMBL903398 cell-based format
CHEMBL2112982 OBDepict H 3 C O N O H H N N Ki = 1.8 nM 415.54 COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(C/C=C/c2ccccc2)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL329065 OBDepict H 3 C O O CH 3 O N O H H N N CH 3 HO Ki = 1.9 nM 479.58 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccc(O)cc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL49137 OBDepict CH 3 N H N N N H N Ki = 2.0 nM 227.27 Cc1c(NC2=NCCN2)ccc2nccnc12 Homo sapiens CHEMBL647722 cell-based format
CHEMBL442 OBDepict H N H N CH 3 H HN O CH 3 O O N OH H N H O IC50 = 2.123 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 CHEMBL1909088 cell membrane format
CHEMBL1385840 OBDepict H N H N CH 3 H NH O O H 3 C CH 3 O N HO H N H CH 3 H 3 C O Ki = 2.361 nM 561.68 CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 Homo sapiens CHEMBL1909088 cell membrane format
CHEMBL268258 OBDepict CH 3 O H N H 3 C O Ki = 2.4 nM 349.47 COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 Homo sapiens CHEMBL647723 single protein format
CHEMBL390718 OBDepict H 3 C O O CH 3 N H N O N N H 3 C Ki = 2.4 nM 462.59 COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 Homo sapiens CHEMBL905522 cell-based format
CHEMBL2112985 OBDepict H 3 C O O CH 3 NH N O H H N N H 3 C Ki = 2.4 nM 462.59 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CN2 Homo sapiens CHEMBL838835 single protein format
CHEMBL597 OBDepict CH 3 N N H N HO Ki = 2.6 nM 281.36 Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1 Homo sapiens CHEMBL647727 single protein format
CHEMBL844 OBDepict Br N H N N N H N Ki = 2.7 nM 292.14 Brc1c(NC2=NCCN2)ccc2nccnc12 Homo sapiens CHEMBL647965 cell-based format
CHEMBL25236 OBDepict CH 3 O N N HN O Ki = 2.75 nM 417.55 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 Homo sapiens CHEMBL1227761 single protein format
CHEMBL1221594 OBDepict H 3 C O N N N H S O O Ki = 2.87 nM 481.66 COc1ccccc1N1CCN(CCCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 Homo sapiens CHEMBL1227761 single protein format
CHEMBL98541 OBDepict H 3 C O O CH 3 O N O H H N N CH 3 F Ki = 2.9 nM 481.57 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccc(F)cc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL647 OBDepict Cl N NH 2 Cl N H NH Ki = 2.9 nM 245.11 Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1 Homo sapiens CHEMBL647722 cell-based format
CHEMBL319573 OBDepict H 3 C O O CH 3 O N O H H N N F Ki = 2.9 nM 467.54 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4F)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL1403281 OBDepict H 3 C CH 3 H N O N O HO O NH H H 3 C CH 3 O H N CH 3 H N H Ki = 2.98 nM 575.71 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 Homo sapiens CHEMBL1909088 cell membrane format
CHEMBL338683 OBDepict Cl Cl NH N Ki = 3.0 nM 255.15 Clc1cc(Cl)c2c(c1)CC1(CC2)CN=CN1 Homo sapiens CHEMBL648169 assay format
CHEMBL419336 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C F F Ki = 3.0 nM 499.56 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4F)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL318235 OBDepict H 3 C O O CH 3 O N O H H N N H 3 C F Ki = 3.4 nM 481.57 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL25554 OBDepict H 3 C O O O CH 3 N H O O Ki = 3.5 nM 345.4 COc1cccc(OC)c1OCCNCC1COc2ccccc2O1 Homo sapiens CHEMBL647728 single protein format
CHEMBL537669 OBDepict H 3 C O O H H OH H H H N N H ClH IC50 = 3.67 nM 390.91 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21.Cl Homo sapiens CHEMBL1046745 cell-based format
CHEMBL134 OBDepict Cl N Cl N H HN Ki = 3.8 nM 230.1 Clc1cccc(Cl)c1N=C1NCCN1 Homo sapiens CHEMBL647722 cell-based format
CHEMBL2112984 OBDepict H NH N H O N N Ki = 4.0 nM 412.54 c1ccc2c(c1)NC[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL1221545 OBDepict H 3 C O N N N H S O O Ki = 4.1 nM 453.61 COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 Homo sapiens CHEMBL1227761 single protein format
CHEMBL1221544 OBDepict CH 3 O N N N H O Ki = 4.59 nM 403.53 COc1ccccc1N1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1 Homo sapiens CHEMBL1227761 single protein format
CHEMBL10347 OBDepict H 3 C O O H H OH H H H N N H Ki = 4.6 nM 354.45 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 Homo sapiens CHEMBL647721 cell-based format
CHEMBL497749 OBDepict CH 3 O N N N H S O O Ki = 4.64 nM 439.58 COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 Homo sapiens CHEMBL1227761 single protein format
CHEMBL178588 OBDepict CH 3 N N H O N H O O O H 3 C CH 3 H 3 C Ki = 4.7 nM 503.64 C/C(=Cc1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C(C)(C)C)cc4OC[C@H]32)CC1 Homo sapiens CHEMBL838835 single protein format
CHEMBL370818 OBDepict CH 3 N N H O N HO Ki = 4.73 nM 283.33 Cc1ccc(N(NC2=NCCO2)c2cccc(O)c2)cc1 Homo sapiens CHEMBL884796 cell-based format
CHEMBL6437 OBDepict CH 3 N N Ki = 4.8 nM 264.37 CN1CCN2c3ccccc3Cc3ccccc3C2C1 Homo sapiens CHEMBL828756 single protein format
CHEMBL75257 OBDepict CH 3 O CH 3 N H CH 3 CH 3 CH 3 H 3 C N N H Ki = 4.9 nM 273.38 COc1c(C(C)(C)C)cc(C)c(Nc2ncc[nH]2)c1C Homo sapiens CHEMBL647965 cell-based format
CHEMBL94129 OBDepict H 3 C O O CH 3 O N O N N Ki = 5.0 nM 473.57 COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ccccc5c4)CC3)C1CO2 Homo sapiens CHEMBL647723 single protein format
CHEMBL1221499 OBDepict H 3 C O N N N H S O O Ki = 5.19 nM 425.55 COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 Homo sapiens CHEMBL1227761 single protein format
CHEMBL101361 OBDepict H 3 C O O CH 3 O N O H H N N CH 3 O CH 3 Ki = 5.2 nM 493.6 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccccc4OC)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL194173 OBDepict Br O S N O O N H N N N H 3 C CH 3 F F F IC50 = 5.6 nM 588.45 CN(C)c1nc(NCC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 Homo sapiens CHEMBL831429 cell-based format
CHEMBL95218 OBDepict H 3 C O O CH 3 O N O H H N N F Ki = 5.9 nM 467.54 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4cccc(F)c4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL90997 OBDepict F NH N Ki = 5.9 nM 218.28 Fc1ccc2c(c1)CC(CC1CN=CN1)C2 Homo sapiens CHEMBL647723 single protein format
CHEMBL597 OBDepict CH 3 N N H N HO IC50 = 6.0 nM 281.36 Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1 Homo sapiens CHEMBL1909088 cell membrane format
CHEMBL432155 OBDepict CH 3 N H N H O N N H Ki = 6.0 nM 230.27 Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 Homo sapiens CHEMBL647965 cell-based format
CHEMBL1221593 OBDepict CH 3 O N N N H O Ki = 6.15 nM 445.61 COc1ccccc1N1CCN(CCCCCCNC(=O)c2ccc3ccccc3c2)CC1 Homo sapiens CHEMBL1227761 single protein format
CHEMBL15245 OBDepict H 3 C O O H H OH H H H N N H IC50 = 6.151 nM 354.45 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 Homo sapiens CHEMBL1909088 cell membrane format
CHEMBL1385840 OBDepict H N H N CH 3 H NH O O H 3 C CH 3 O N HO H N H CH 3 H 3 C O IC50 = 6.296 nM 561.68 CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 Homo sapiens CHEMBL1909088 cell membrane format
CHEMBL362954 OBDepict CH 3 O N N H N H N CH 3 Ki = 6.3 nM 296.37 COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 Homo sapiens CHEMBL884796 cell-based format
CHEMBL2112971 OBDepict H 3 C O O CH 3 NH N O H H N N CH 3 Ki = 6.5 nM 462.59 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccccc4)CC3)[C@@H]1CN2 Homo sapiens CHEMBL838835 single protein format
CHEMBL98471 OBDepict CH 3 NH N Ki = 7.0 nM 200.28 Cc1ccc2c(c1)CC1(CC2)CN=CN1 Homo sapiens CHEMBL648169 assay format
CHEMBL2112983 OBDepict H 3 C O O CH 3 NH N O H H N N Ki = 7.9 nM 448.57 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CN2 Homo sapiens CHEMBL838835 single protein format
CHEMBL1403281 OBDepict H 3 C CH 3 H N O N O HO O NH H H 3 C CH 3 O H N CH 3 H N H IC50 = 7.946 nM 575.71 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 Homo sapiens CHEMBL1909088 cell membrane format
CHEMBL10316 OBDepict N H N O O Ki = 8.0 nM 204.23 c1ccc2c(c1)OCC(C1=NCCN1)O2 Homo sapiens CHEMBL903398 cell-based format
CHEMBL123325 OBDepict H 3 C O O O H H H CH 3 H N N H Ki = 8.2 nM 352.43 COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 Homo sapiens CHEMBL647721 cell-based format
CHEMBL1221592 OBDepict CH 3 O N N N H S O O Ki = 8.53 nM 467.64 COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 Homo sapiens CHEMBL1227761 single protein format
CHEMBL762 OBDepict CH 3 CH 3 OH H 3 C H 3 C CH 3 N H N Ki = 8.639 nM 260.38 Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1 Homo sapiens CHEMBL1909088 cell membrane format
CHEMBL328114 OBDepict H 3 C O O CH 3 O N O H H N N Ki = 8.8 nM 449.55 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL93489 OBDepict H 3 C O O CH 3 O N O N N Ki = 8.8 nM 449.55 COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 Homo sapiens CHEMBL647723 single protein format
CHEMBL419894 OBDepict H 3 C O O CH 3 O N O H H N N F Ki = 9.0 nM 467.54 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format
CHEMBL2112969 OBDepict H 3 C O O CH 3 NH N O H H N N O F Ki = 9.1 nM 470.55 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCOc4ccc(F)cc4)CC3)[C@@H]1CN2 Homo sapiens CHEMBL838835 single protein format
CHEMBL328631 OBDepict H 3 C O O CH 3 O N O H H N N CH 3 F F Ki = 9.3 nM 499.56 COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(C)c4ccc(F)cc4F)CC3)[C@@H]1CO2 Homo sapiens CHEMBL647724 single protein format