HOME LIGAND hPROTEOME OTHERS DOCUMENT

P25100 | ADA1D_HUMAN | Alpha-1D adrenergic receptor (ADRA1D)

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
CHEMBL778 OBDepict H N N H 3 C H CH 3 CH 3 Ki = 0.015 nM 200.28 Cc1cccc([C@H](C)c2c[nH]cn2)c1C Homo sapiens CHEMBL646819 single protein format
CHEMBL324090 OBDepict CH 3 O O CH 3 N N NH 2 O O CH 3 CH 3 Ki = 0.04 nM 395.46 COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 Homo sapiens CHEMBL643573 single protein format
CHEMBL836 OBDepict CH 3 O O N H CH 3 H S O O O NH 2 H 3 C Ki = 0.058 nM 408.52 CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1 Homo sapiens CHEMBL873049 single protein format
CHEMBL1744288 OBDepict OH O O HO CH 3 S N N H Ki = 0.07 nM 308.36 CCc1sccc1Cc1c[nH]cn1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL1203855 OBDepict H N N S Br Br ClH Ki = 0.07 nM 358.49 Brc1csc(Cc2c[nH]cn2)c1Br.Cl Homo sapiens CHEMBL646819 single protein format
CHEMBL1788145 OBDepict H N N CH 3 S Br HO O O HO Ki = 0.08 nM 373.23 CC(c1c[nH]cn1)c1cscc1Br.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL1744273 OBDepict H N N Cl S Cl HO O O HO Ki = 0.088 nM 349.2 Clc1cc(Cc2c[nH]cn2)c(Cl)s1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL1744270 OBDepict H N N S OH O O OH Ki = 0.09 nM 330.37 O=C(O)/C=C/C(=O)O.c1ccc2c(Cc3c[nH]cn3)csc2c1 Homo sapiens CHEMBL646819 single protein format
CHEMBL1744272 OBDepict H N N CH 3 H 3 C S HO O O HO Ki = 0.1 nM 308.36 Cc1csc(C)c1Cc1c[nH]cn1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL80641 OBDepict CH 3 O N N N H O N O CH 3 N CH 3 Ki = 0.13 nM 461.57 COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816954 single protein format
CHEMBL232609 OBDepict H 3 C O CH 3 N N H H NH S O O N Br Cl Ki = 0.14 nM 571.97 CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 Homo sapiens CHEMBL894518 single protein format
CHEMBL1203846 OBDepict H N N S H 3 C H 3 C ClH Ki = 0.17 nM 228.75 Cc1csc(Cc2c[nH]cn2)c1C.Cl Homo sapiens CHEMBL646819 single protein format
CHEMBL355784 OBDepict H N N CH 3 S Br Ki = 0.18 nM 257.16 CC(c1c[nH]cn1)c1sccc1Br Homo sapiens CHEMBL646819 single protein format
CHEMBL243864 OBDepict CH 3 O H 3 C N N N O O Ki = 0.2 nM 497.64 CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccccc5c4C3=O)CC2)CC1 Homo sapiens CHEMBL891020 cell-based format
CHEMBL1744289 OBDepict H N N S Br HO O O HO Ki = 0.23 nM 359.2 Brc1cscc1Cc1c[nH]cn1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL78874 OBDepict CH 3 O N HN N O CH 3 N N O CH 3 Ki = 0.25 nM 475.59 CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1 Homo sapiens CHEMBL816954 single protein format
CHEMBL310599 OBDepict Cl N N NH O N O CH 3 N H 3 C Ki = 0.25 nM 465.99 CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1 Homo sapiens CHEMBL816954 single protein format
CHEMBL268758 OBDepict CH 3 O N N N O N O H S Ki = 0.252 nM 462.58 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 Homo sapiens CHEMBL646100 single protein format
CHEMBL1744263 OBDepict OH O O OH CH 3 S H 3 C N N H Ki = 0.28 nM 322.39 CCc1cscc1C(C)c1c[nH]cn1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL1744278 OBDepict OH O O HO CH 3 S N N H Ki = 0.29 nM 308.36 CCc1cscc1Cc1c[nH]cn1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL243692 OBDepict CH 3 O H 3 C N N N O O Cl Cl Ki = 0.3 nM 516.47 CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)CC1 Homo sapiens CHEMBL891020 cell-based format
CHEMBL4207824 OBDepict CH 3 N H S H N H O O O F F ClH Ki = 0.3 nM 418.89 CNc1ccc2c(c1)[C@@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O.Cl Homo sapiens CHEMBL4193339 cell-based format
CHEMBL8618 OBDepict CH 3 O N N N O O Ki = 0.3 nM 393.49 COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 Homo sapiens CHEMBL891020 cell-based format
CHEMBL13735 OBDepict CH 3 O N N N O N O H S Ki = 0.308 nM 386.48 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 Homo sapiens CHEMBL646100 single protein format
CHEMBL13856 OBDepict CH 3 O N N N O N O H S CH 3 Ki = 0.312 nM 476.6 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1 Homo sapiens CHEMBL646100 single protein format
CHEMBL2 OBDepict CH 3 O O N CH 3 N N H 2 N N O O Ki = 0.32 nM 383.41 COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL643573 single protein format
CHEMBL438673 OBDepict CH 3 O O H 3 C S N H O O H H N N O F F F Ki = 0.35 nM 557.64 COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC Homo sapiens CHEMBL900499 single protein format
CHEMBL1203850 OBDepict H N N S Br ClH Ki = 0.35 nM 279.59 Brc1ccsc1Cc1c[nH]cn1.Cl Homo sapiens CHEMBL646819 single protein format
CHEMBL1744271 OBDepict H N N CH 3 S CH 3 HO O O HO Ki = 0.39 nM 308.36 Cc1cscc1C(C)c1c[nH]cn1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL1744276 OBDepict OH O O HO CH 3 S H 3 C N N H Ki = 0.4 nM 336.41 CCc1cc(Cc2c[nH]cn2)c(CC)s1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL3582270 OBDepict CH 3 N CH 3 O O N N N N O N N N H 2 N O O H 3 C H 3 C Ki = 0.4 nM 599.65 CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 Homo sapiens CHEMBL3583057 cell-based format
CHEMBL80458 OBDepict CH 3 O N Cl N N H O N O H 3 C N CH 3 Ki = 0.41 nM 496.01 COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816954 single protein format
CHEMBL80730 OBDepict CH 3 O N N N H O N O N CH 3 H 3 C CH 3 Ki = 0.43 nM 489.62 COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816954 single protein format
CHEMBL1744280 OBDepict H N N CH 3 S Br Br HO O O HO Ki = 0.43 nM 452.12 CC(c1c[nH]cn1)c1scc(Br)c1Br.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL1744294 OBDepict H N N CH 3 S HO O O HO Ki = 0.44 nM 294.33 Cc1sccc1Cc1c[nH]cn1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL1203848 OBDepict H N N S H 3 C ClH Ki = 0.45 nM 214.72 Cc1ccsc1Cc1c[nH]cn1.Cl Homo sapiens CHEMBL646819 single protein format
CHEMBL13754 OBDepict CH 3 O N N N O N O H S H 3 C Ki = 0.466 nM 476.6 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 Homo sapiens CHEMBL646100 single protein format
CHEMBL1744291 OBDepict H N N S CH 3 HO O O HO Ki = 0.47 nM 294.33 Cc1cscc1Cc1c[nH]cn1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL420205 OBDepict F N N NH O N O CH 3 N H 3 C Ki = 0.49 nM 449.53 CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1 Homo sapiens CHEMBL816954 single protein format
CHEMBL243866 OBDepict CH 3 O H 3 C N N N O O F Ki = 0.5 nM 515.63 CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 Homo sapiens CHEMBL891020 cell-based format
CHEMBL391035 OBDepict CH 3 O H 3 C N N H H HN S O O Cl Cl Ki = 0.64 nM 526.53 CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 Homo sapiens CHEMBL894518 single protein format
CHEMBL2 OBDepict CH 3 O O N CH 3 N N H 2 N N O O IC50 = 0.656 nM 383.41 COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL1909087 cell membrane format
CHEMBL3798124 OBDepict Cl N CH 3 HN O H 2 N Cl Ki = 0.66 nM 310.18 CC(c1cccc(Cl)c1)n1cc(Cl)cc(C(N)=O)c1=N Homo sapiens CHEMBL3801620 cell-based format
CHEMBL1744277 OBDepict H N N H 3 C S CH 3 HO O O HO Ki = 0.69 nM 308.36 Cc1cc(Cc2c[nH]cn2)c(C)s1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL1744281 OBDepict H N N CH 3 S H 3 C CH 3 HO O O HO Ki = 0.75 nM 322.39 Cc1csc(C(C)c2c[nH]cn2)c1C.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL390129 OBDepict H 3 C O O S CH 3 NH O O H H N O CH 3 H 3 C Ki = 0.77 nM 516.7 COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC Homo sapiens CHEMBL889237 single protein format
CHEMBL13647 OBDepict H 3 C O N N N O O Ki = 0.778 nM 385.51 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Homo sapiens CHEMBL646100 single protein format
CHEMBL170960 OBDepict H N N CH 3 S CH 3 Ki = 0.78 nM 192.29 Cc1ccsc1C(C)c1c[nH]cn1 Homo sapiens CHEMBL646819 single protein format
CHEMBL25554 OBDepict H 3 C O O O CH 3 N H O O Ki = 0.8 nM 345.4 COc1cccc(OC)c1OCCNCC1COc2ccccc2O1 Homo sapiens CHEMBL643573 single protein format
CHEMBL243229 OBDepict H 3 C O CH 3 N N N O O N Ki = 0.8 nM 448.57 CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccncc4C3=O)CC2)CC1 Homo sapiens CHEMBL891020 cell-based format
CHEMBL233849 OBDepict CH 3 O S N H O O H H N N O H 3 C H 3 C Br Ki = 0.8 nM 566.56 COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 Homo sapiens CHEMBL894518 single protein format
CHEMBL299691 OBDepict O N O N N F Ki = 0.83 nM 373.47 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 Homo sapiens CHEMBL839942 single protein format
CHEMBL4218307 OBDepict CH 3 N H S NH O O O F F ClH Ki = 0.85 nM 418.89 CNc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O.Cl Homo sapiens CHEMBL4193339 cell-based format
CHEMBL611 OBDepict CH 3 O O N CH 3 N N H 2 N N O O Ki = 0.85 nM 387.44 COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL873049 single protein format
CHEMBL3800606 OBDepict N Cl N HN Cl O NH 2 Ki = 0.86 nM 321.17 N#Cc1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 Homo sapiens CHEMBL3801620 cell-based format
CHEMBL723 OBDepict H 3 C O O N H HO O N H Ki = 0.883 nM 406.48 COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 Homo sapiens CHEMBL1909087 cell membrane format
CHEMBL301726 OBDepict H 3 C O N N N N O NH 2 O CH 3 Ki = 0.93 nM 447.54 COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1 Homo sapiens CHEMBL643574 cell-based format
CHEMBL556313 OBDepict O N O N N F F Ki = 0.95 nM 391.46 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 Homo sapiens CHEMBL839942 single protein format
CHEMBL1909072 OBDepict Cl N S N O NH 2 Ki = 0.955 nM 401.96 NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 Homo sapiens CHEMBL1909087 cell membrane format
CHEMBL1237159 OBDepict H N N CH 3 S Br ClH Ki = 0.96 nM 293.62 CC(c1c[nH]cn1)c1sccc1Br.Cl Homo sapiens CHEMBL646819 single protein format
CHEMBL40650 OBDepict CH 3 O H H N N O N O H S N Ki = 0.97 nM 448.55 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 Homo sapiens CHEMBL873049 single protein format
CHEMBL1744287 OBDepict OH O O HO CH 3 N S H 3 C N H Ki = 0.97 nM 322.39 CCC(c1c[nH]cn1)c1cscc1C.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL228445 OBDepict Cl S F N H O O H H N O F F F Ki = 0.98 nM 549.03 O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F Homo sapiens CHEMBL889237 single protein format
CHEMBL81486 OBDepict CH 3 O N Cl N N H O N N CH 3 Ki = 1.07 nM 453.97 COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816954 single protein format
CHEMBL4208816 OBDepict H 3 C S N Cl NH Cl O NH 2 ClH Ki = 1.1 nM 378.71 CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N.Cl Homo sapiens CHEMBL4193339 cell-based format
CHEMBL3799553 OBDepict Cl N HN O H 2 N S Cl O O CH 3 Ki = 1.1 nM 374.25 CS(=O)(=O)c1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N Homo sapiens CHEMBL3801620 cell-based format
CHEMBL1203851 OBDepict H N N S ClH Ki = 1.1 nM 250.75 Cl.c1ccc2sc(Cc3c[nH]cn3)cc2c1 Homo sapiens CHEMBL646819 single protein format
CHEMBL257097 OBDepict O N H NH F F N N O H 3 C CH 3 Ki = 1.2 nM 472.58 CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 Homo sapiens CHEMBL947043 single protein format
CHEMBL707 OBDepict CH 3 O O N CH 3 N N NH 2 N O O O Ki = 1.2 nM 451.48 COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL643573 single protein format
CHEMBL123448 OBDepict H 3 C S N CH 3 Cl Ki = 1.2 nM 265.81 CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 Homo sapiens CHEMBL646104 cell-based format
CHEMBL98241 OBDepict O N O CH 3 H N N F F F Ki = 1.3 nM 423.48 C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O Homo sapiens CHEMBL646100 single protein format
CHEMBL233592 OBDepict CH 3 O H 3 C N N H H HN S O O F F F Ki = 1.4 nM 525.64 CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 Homo sapiens CHEMBL894518 single protein format
CHEMBL4213029 OBDepict CH 3 O S NH O O O F F ClH Ki = 1.5 nM 419.88 COc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O.Cl Homo sapiens CHEMBL4193339 cell-based format
CHEMBL233410 OBDepict CH 3 O H 3 C N N H H HN S O O F Cl Ki = 1.5 nM 510.08 CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 Homo sapiens CHEMBL894518 single protein format
CHEMBL303464 OBDepict CH 3 O N N N N O N O CH 3 Ki = 1.5 nM 445.52 COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 Homo sapiens CHEMBL646097 single protein format
CHEMBL243228 OBDepict H 3 C O CH 3 N N N O O N Ki = 1.5 nM 448.57 CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccnc4C3=O)CC2)CC1 Homo sapiens CHEMBL891020 cell-based format
CHEMBL278865 OBDepict CH 3 O N N HN O O O CH 3 Ki = 1.5 nM 511.62 COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 Homo sapiens CHEMBL643403 cell-based format
CHEMBL257077 OBDepict H 3 C O CH 3 N N N H HN O Cl Ki = 1.5 nM 471.05 CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 Homo sapiens CHEMBL947043 single protein format
CHEMBL15245 OBDepict H 3 C O O H H OH H H H N N H Ki = 1.6 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 CHEMBL643573 single protein format
CHEMBL442059 OBDepict CH 3 O S N H O O H H N O F F F Cl Ki = 1.6 nM 561.07 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 Homo sapiens CHEMBL889237 single protein format
CHEMBL228659 OBDepict H 3 C O O S CH 3 NH O O H H N O F CH 3 H 3 C Ki = 1.6 nM 534.69 COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC Homo sapiens CHEMBL889237 single protein format
CHEMBL3799292 OBDepict N N CH 3 H HN Cl O NH 2 Ki = 1.6 nM 300.75 C[C@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N Homo sapiens CHEMBL3801620 cell-based format
CHEMBL256804 OBDepict O N H HN F F N N O CH 3 CH 3 Ki = 1.6 nM 472.58 CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 Homo sapiens CHEMBL947043 single protein format
CHEMBL25467 OBDepict H 2 C S N CH 3 Cl Ki = 1.6 nM 263.79 C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 Homo sapiens CHEMBL646104 cell-based format
CHEMBL723 OBDepict H 3 C O O N H HO O N H IC50 = 1.796 nM 406.48 COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 Homo sapiens CHEMBL1909087 cell membrane format
CHEMBL193620 OBDepict O N O N N F F F Ki = 1.9 nM 409.45 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1 Homo sapiens CHEMBL839942 single protein format
CHEMBL1909072 OBDepict Cl N S N O NH 2 IC50 = 1.944 nM 401.96 NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 Homo sapiens CHEMBL1909087 cell membrane format
CHEMBL71 OBDepict CH 3 N CH 3 N S Cl Ki = 1.962 nM 318.87 CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21 Homo sapiens CHEMBL1909087 cell membrane format
CHEMBL229085 OBDepict CH 3 O O S CH 3 N H O O H H N O Ki = 2.0 nM 514.69 COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC Homo sapiens CHEMBL889237 single protein format
CHEMBL228280 OBDepict Cl S F N H O O H H N O Ki = 2.1 nM 507.07 O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F Homo sapiens CHEMBL889237 single protein format
CHEMBL1237160 OBDepict H N N CH 3 S CH 3 ClH Ki = 2.1 nM 228.75 Cc1ccsc1C(C)c1c[nH]cn1.Cl Homo sapiens CHEMBL646819 single protein format
CHEMBL236830 OBDepict H 3 C O CH 3 N N H H NH S O O O F F F Ki = 2.1 nM 541.64 CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 Homo sapiens CHEMBL894518 single protein format
CHEMBL3582270 OBDepict CH 3 N CH 3 O O N N N N O N N N H 2 N O O H 3 C H 3 C IC50 = 2.2 nM 599.65 CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 Homo sapiens CHEMBL3583057 cell-based format
CHEMBL228334 OBDepict CH 3 O O H 3 C S N H O O H H N O F F F Ki = 2.2 nM 556.65 COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC Homo sapiens CHEMBL889237 single protein format
CHEMBL429623 OBDepict CH 3 O S N H O O H H N N O H 3 C H 3 C + N O _ O Ki = 2.2 nM 532.66 COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 Homo sapiens CHEMBL894518 single protein format
CHEMBL1744269 OBDepict H N N CH 3 CH 3 S HO O O HO Ki = 2.3 nM 308.36 Cc1sccc1C(C)c1c[nH]cn1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL646819 single protein format
CHEMBL399195 OBDepict CH 3 O H 3 C N N H H HN S O O F Ki = 2.4 nM 475.63 CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 Homo sapiens CHEMBL894518 single protein format
CHEMBL232592 OBDepict CH 3 O H 3 C N N H H HN S O O + N O _ O Ki = 2.5 nM 502.64 CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 Homo sapiens CHEMBL894518 single protein format
CHEMBL388897 OBDepict CH 3 O S N H O O H H N O Cl Ki = 2.6 nM 519.11 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 Homo sapiens CHEMBL889237 single protein format
CHEMBL3800305 OBDepict Cl N NH O NH 2 Cl Ki = 2.6 nM 296.16 N=c1c(C(N)=O)cc(Cl)cn1Cc1cccc(Cl)c1 Homo sapiens CHEMBL3801620 cell-based format