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P35348 | ADA1A_HUMAN | Alpha-1A adrenergic receptor (ADRA1A)

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
CHEMBL145843 OBDepict CH 3 O O CH 3 HN N O NH O F F N N + N O _ O Ki = 0.01 nM 572.57 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647056 tissue-based format
CHEMBL145547 OBDepict CH 3 O O CH 3 NH N O HN O F F N H H 3 C N + N O _ O Ki = 0.02 nM 586.6 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647056 tissue-based format
CHEMBL10085 OBDepict CH 3 O CH 3 N N N O Ki = 0.02 nM 421.59 CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 Homo sapiens CHEMBL979556 single protein format
CHEMBL836 OBDepict CH 3 O O N H CH 3 H S O O O NH 2 H 3 C Ki = 0.029 nM 408.52 CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1 Homo sapiens CHEMBL652814 single protein format
CHEMBL24778 OBDepict OH N O NH 2 N H CH 3 H O O F F F Ki = 0.036 nM 495.54 C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F Homo sapiens CHEMBL827429 tissue-based 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 CHEMBL647665 single protein format
CHEMBL2234441 OBDepict CH 3 O O O H 3 C N H H O H Ki = 0.05 nM 405.49 COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2O1 Homo sapiens CHEMBL3049693 single protein format
CHEMBL341849 OBDepict CH 3 O O CH 3 NH N O HN O F F N H H 3 C N + N O _ O Ki = 0.05 nM 586.6 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647056 tissue-based format
CHEMBL309518 OBDepict CH 3 S S O N O O N N O O Ki = 0.057 nM 501.63 CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O Homo sapiens CHEMBL648784 cell-based format
CHEMBL144933 OBDepict CH 3 O N H O N O O CH 3 N H O F F N N F Ki = 0.06 nM 599.61 COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)C(=O)N1 Homo sapiens CHEMBL647055 tissue-based format
CHEMBL83340 OBDepict CH 3 O S O N O O N N O O Ki = 0.064 nM 485.56 COc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O Homo sapiens CHEMBL873066 cell-based format
CHEMBL90086 OBDepict N F N N H O N H N H H 3 C O F F Ki = 0.068 nM 511.55 CN1C=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O Homo sapiens CHEMBL647052 cell-based format
CHEMBL94188 OBDepict N F N N H O NH H N H O F F Ki = 0.07 nM 497.52 N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 Homo sapiens CHEMBL647052 cell-based format
CHEMBL313990 OBDepict Cl S O N O O N N O O Ki = 0.077 nM 489.98 O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 Homo sapiens CHEMBL873066 cell-based format
CHEMBL2234443 OBDepict CH 3 O O O H 3 C N H H S H Ki = 0.08 nM 421.56 COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2S1 Homo sapiens CHEMBL3049693 single protein format
CHEMBL83272 OBDepict F O N O N N S O O O Ki = 0.084 nM 473.53 O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc(F)ccc32)CC1 Homo sapiens CHEMBL648631 cell-based format
CHEMBL81006 OBDepict CH 3 S O N O O N N O O Ki = 0.099 nM 469.56 Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O Homo sapiens CHEMBL873066 cell-based format
CHEMBL146654 OBDepict CH 3 O O CH 3 HN N O NH O F F N N O CH 3 Ki = 0.1 nM 557.6 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647056 tissue-based format
CHEMBL142743 OBDepict H 3 C O O CH 3 HN N O NH O N N O N O O CH 3 Ki = 0.1 nM 590.64 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc2nonc2c1 Homo sapiens CHEMBL873186 tissue-based format
CHEMBL142929 OBDepict CH 3 O N H O N O O CH 3 N H O F F N N Ki = 0.1 nM 581.62 COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 Homo sapiens CHEMBL647055 tissue-based format
CHEMBL142251 OBDepict CH 3 O N N N H N O O HN H 3 C O O F CH 3 F Ki = 0.1 nM 571.63 CCOc1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)C2c2ccc(F)c(F)c2)CC1 Homo sapiens CHEMBL647056 tissue-based format
CHEMBL445577 OBDepict CH 3 O O NH N CH 3 O N H O F F N N O NH 2 Ki = 0.1 nM 584.62 CCC1=C(C(=O)OC)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 Homo sapiens CHEMBL647056 tissue-based format
CHEMBL142981 OBDepict CH 3 O O CH 3 NH N O F F N O O H 3 C Ki = 0.1 nM 569.65 COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL876765 single protein format
CHEMBL145190 OBDepict CH 3 O O CH 3 NH N O HN O F F N N N Ki = 0.1 nM 552.58 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647056 tissue-based format
CHEMBL298713 OBDepict CH 3 O O CH 3 HN N O NH O F F N O O CH 3 Ki = 0.1 nM 584.62 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL873186 tissue-based format
CHEMBL304591 OBDepict CH 3 O N O O N H O N N O CH 3 H 3 C Ki = 0.11 nM 556.66 COc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 Homo sapiens CHEMBL652819 single protein format
CHEMBL91616 OBDepict N N F HN O N H HN CH 3 O F F Ki = 0.12 nM 511.55 CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O Homo sapiens CHEMBL652812 cell-based format
CHEMBL145394 OBDepict CH 3 O O CH 3 HN N O NH O F F N N O NH 2 Ki = 0.12 nM 570.6 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647056 tissue-based format
CHEMBL311890 OBDepict O O N N N S O O O Ki = 0.12 nM 455.54 O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 Homo sapiens CHEMBL648631 cell-based format
CHEMBL89927 OBDepict N F N N H O CH 3 N H N H CH 3 O F F Ki = 0.12 nM 525.58 CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C Homo sapiens CHEMBL647052 cell-based format
CHEMBL90652 OBDepict N N N H O NH H N H O F F Ki = 0.13 nM 479.53 N#Cc1ccccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 Homo sapiens CHEMBL647052 cell-based format
CHEMBL83226 OBDepict O N S O O + N O _ O N N O O Ki = 0.13 nM 500.53 O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 Homo sapiens CHEMBL648631 cell-based format
CHEMBL328763 OBDepict CH 3 O N H O NH NH O H F N F N F Ki = 0.14 nM 541.57 COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 Homo sapiens CHEMBL647052 cell-based format
CHEMBL90606 OBDepict F N NH O CH 3 NH H N CH 3 O F F Ki = 0.14 nM 500.57 CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1 Homo sapiens CHEMBL647052 cell-based format
CHEMBL91091 OBDepict N N N N H O NH H N H O F F Ki = 0.16 nM 504.54 N#Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 Homo sapiens CHEMBL647052 cell-based format
CHEMBL4100620 OBDepict H 3 C O N H O HN HN O H F N F N N Ki = 0.16 nM 548.59 COCC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(C#N)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 Homo sapiens CHEMBL4025636 cell-based format
CHEMBL304132 OBDepict CH 3 O H 3 C N N N H O O N O CH 3 Ki = 0.16 nM 540.66 Cc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 Homo sapiens CHEMBL652819 single protein format
CHEMBL82877 OBDepict O N S O O + N O _ O N N O O Ki = 0.16 nM 500.53 O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 Homo sapiens CHEMBL648784 cell-based format
CHEMBL96467 OBDepict F N HN N O O O H H H 3 C F F Ki = 0.17 nM 475.51 C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647663 single protein format
CHEMBL316100 OBDepict N N F N H O NH H N H O F F Ki = 0.17 nM 497.52 N#CC1(c2ccc(F)cc2)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 Homo sapiens CHEMBL647052 cell-based format
CHEMBL92328 OBDepict N F N N H O CH 3 NH H N H O F F Ki = 0.17 nM 511.55 CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 Homo sapiens CHEMBL647052 cell-based format
CHEMBL94167 OBDepict F N NH O NH H N H O F F Ki = 0.17 nM 472.51 O=C1NC=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 Homo sapiens CHEMBL647052 cell-based format
CHEMBL4062896 OBDepict CH 3 O N H NH NH O H N F N F Ki = 0.17 nM 509.6 COCC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)cc2)NCN1 Homo sapiens CHEMBL4025636 cell-based format
CHEMBL69264 OBDepict H 3 C O CH 3 N N N H O O N O N CH 3 CH 3 Ki = 0.18 nM 569.71 CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 Homo sapiens CHEMBL652819 single protein format
CHEMBL4081581 OBDepict F F N N H O CH 3 N H HN CH 3 O F F Ki = 0.18 nM 518.56 CC1=C(C(=O)NCCCN2CCC(c3ccc(F)c(F)c3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C Homo sapiens CHEMBL4025636 cell-based format
CHEMBL316358 OBDepict N F N N N H O N H HN CH 3 O F F Ki = 0.18 nM 536.56 CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O Homo sapiens CHEMBL647052 cell-based format
CHEMBL90421 OBDepict F N NH O H 3 C N H NH CH 3 O F F Ki = 0.18 nM 500.57 CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C Homo sapiens CHEMBL652812 cell-based format
CHEMBL80730 OBDepict CH 3 O N N N H O N O N CH 3 H 3 C CH 3 Ki = 0.18 nM 489.62 COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816950 single protein format
CHEMBL90420 OBDepict F N NH O CH 3 N H N CH 3 CH 3 O F F Ki = 0.18 nM 514.59 CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C Homo sapiens CHEMBL652812 cell-based format
CHEMBL78874 OBDepict CH 3 O N HN N O CH 3 N N O CH 3 Ki = 0.19 nM 475.59 CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1 Homo sapiens CHEMBL816950 single protein format
CHEMBL145459 OBDepict CH 3 O O CH 3 HN N O NH O F F N Ki = 0.2 nM 526.58 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647055 tissue-based format
CHEMBL145338 OBDepict CH 3 O O CH 3 NH N O HN O F F N N O O CH 3 Ki = 0.2 nM 585.61 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647056 tissue-based format
CHEMBL262217 OBDepict CH 3 O N H O N O O CH 3 N H O F F N N F Ki = 0.2 nM 599.61 COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3cccc(F)c3)CC2)C(=O)N1 Homo sapiens CHEMBL647055 tissue-based format
CHEMBL358595 OBDepict CH 3 O O N N H N O O N H O NH 2 H 3 C + N O _ O Ki = 0.2 nM 592.65 CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 Homo sapiens CHEMBL873186 tissue-based format
CHEMBL358785 OBDepict CH 3 O O CH 3 HN N O NH O F F N O O Ki = 0.2 nM 582.6 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)Cc2ccccc23)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647055 tissue-based format
CHEMBL144938 OBDepict H 3 C O O CH 3 N H N O F NH O F N O O H 3 C Ki = 0.2 nM 584.62 COC(=O)C1=C(C)NC(=O)N(CC(=O)NCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647055 tissue-based format
CHEMBL142398 OBDepict CH 3 O O CH 3 HN N O NH O F F N N Cl Ki = 0.2 nM 562.02 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647056 tissue-based format
CHEMBL356584 OBDepict CH 3 NH O N O NH 2 NH O F F N O O H 3 C Ki = 0.2 nM 583.64 CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 Homo sapiens CHEMBL873186 tissue-based format
CHEMBL181215 OBDepict CH 3 O O O H 3 C N H H O S Ki = 0.2 nM 361.46 COc1cccc(OC)c1OCCNC[C@H]1CSc2ccccc2O1 Homo sapiens CHEMBL827429 tissue-based format
CHEMBL144925 OBDepict CH 3 NH O N O NH 2 NH O F F N O O H 3 C Ki = 0.2 nM 583.64 CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 Homo sapiens CHEMBL873186 tissue-based format
CHEMBL342731 OBDepict CH 3 O O CH 3 HN N O NH O F F N N Ki = 0.2 nM 527.57 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647056 tissue-based format
CHEMBL70892 OBDepict CH 3 O CH 3 N N N H O O N O HO Ki = 0.2 nM 542.64 CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 Homo sapiens CHEMBL652819 single protein format
CHEMBL69848 OBDepict CH 3 O H 3 C N N S N O Ki = 0.2 nM 413.59 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1 Homo sapiens CHEMBL652815 cell-based format
CHEMBL141444 OBDepict CH 3 O O CH 3 HN N O NH O F F N O O CH 3 Ki = 0.2 nM 584.62 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F Homo sapiens CHEMBL873186 tissue-based format
CHEMBL359012 OBDepict CH 3 O O CH 3 HN N O NH O F F N O Ki = 0.2 nM 568.62 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCCc2ccccc23)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647055 tissue-based format
CHEMBL40650 OBDepict CH 3 O H H N N O N O H S N Ki = 0.22 nM 448.55 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 Homo sapiens CHEMBL652814 single protein format
CHEMBL311479 OBDepict CH 3 O N N N H O N N CH 3 Ki = 0.22 nM 419.53 COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816950 single protein format
CHEMBL68203 OBDepict H 3 C O N O O N H O OH H N N O H 3 C CH 3 Ki = 0.23 nM 572.66 COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 Homo sapiens CHEMBL652819 single protein format
CHEMBL92951 OBDepict H 3 C O N H O HN HN O H F N F F Ki = 0.24 nM 516.56 COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 Homo sapiens CHEMBL652812 cell-based format
CHEMBL328658 OBDepict N N N H O CH 3 HN H N H O F F Ki = 0.25 nM 493.56 CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 Homo sapiens CHEMBL647052 cell-based format
CHEMBL56331 OBDepict O N N H O CH 3 N N O F F F Ki = 0.25 nM 426.44 Cc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O Homo sapiens CHEMBL827429 tissue-based format
CHEMBL198860 OBDepict CH 3 O O O CH 3 N H O O Cl Ki = 0.251 nM 457.95 COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1 Homo sapiens CHEMBL3049693 single protein format
CHEMBL83592 OBDepict F S O N O O N N O O Ki = 0.27 nM 473.53 O=C1c2cc(F)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 Homo sapiens CHEMBL648786 cell-based format
CHEMBL311247 OBDepict O N O N N OH N Ki = 0.28 nM 418.5 O=C1c2ccccc2C(=O)N1CCCCN1CCC(n2c(O)nc3ccccc32)CC1 Homo sapiens CHEMBL648631 cell-based format
CHEMBL80458 OBDepict CH 3 O N Cl N N H O N O H 3 C N CH 3 Ki = 0.28 nM 496.01 COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816950 single protein format
CHEMBL431362 OBDepict H 3 C O CH 3 N N OH H N H O O N O H 3 C Ki = 0.29 nM 556.66 Cc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 Homo sapiens CHEMBL652819 single protein format
CHEMBL145170 OBDepict CH 3 O O CH 3 HN N O N H O F F N O Ki = 0.3 nM 554.59 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCc2ccccc23)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647055 tissue-based format
CHEMBL342543 OBDepict CH 3 O O CH 3 NH N O HN O F F N O O CH 3 Ki = 0.3 nM 584.62 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC(C)=O)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647055 tissue-based format
CHEMBL357172 OBDepict CH 3 O O H 3 C HN N O HN O F F F N N O H 2 N Ki = 0.3 nM 588.59 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 Homo sapiens CHEMBL647056 tissue-based format
CHEMBL145770 OBDepict CH 3 O O CH 3 N N H 3 C F F N O CH 3 Ki = 0.3 nM 539.67 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL876765 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 = 0.3 nM 599.65 CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 Homo sapiens CHEMBL3583290 cell-based format
CHEMBL310599 OBDepict Cl N N NH O N O CH 3 N H 3 C Ki = 0.3 nM 465.99 CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1 Homo sapiens CHEMBL816950 single protein format
CHEMBL305029 OBDepict CH 3 O H 3 C N N S N O Ki = 0.3 nM 427.61 CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 Homo sapiens CHEMBL652815 cell-based format
CHEMBL344525 OBDepict CH 3 O O CH 3 HN N O NH O F F N N CH 3 Ki = 0.3 nM 541.6 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647056 tissue-based format
CHEMBL93843 OBDepict N F N N N H O N H N CH 3 H 3 C O F F Ki = 0.3 nM 550.59 CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C1=O Homo sapiens CHEMBL647052 cell-based format
CHEMBL197442 OBDepict H 3 C O O O CH 3 N H O O + N O _ O Ki = 0.316 nM 468.51 COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL3049693 single protein format
CHEMBL420205 OBDepict F N N NH O N O CH 3 N H 3 C Ki = 0.32 nM 449.53 CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1 Homo sapiens CHEMBL816950 single protein format
CHEMBL309106 OBDepict CH 3 O CH 3 N N OH H N H O O N O N H 3 C H 3 C Ki = 0.33 nM 585.71 CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 Homo sapiens CHEMBL652819 single protein format
CHEMBL444590 OBDepict CH 3 O N N N Ki = 0.33 nM 365.52 COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1 Homo sapiens CHEMBL642029 single protein format
CHEMBL278865 OBDepict CH 3 O N N HN O O O CH 3 Ki = 0.34 nM 511.62 COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 Homo sapiens CHEMBL647058 cell-based format
CHEMBL13735 OBDepict CH 3 O N N N O N O H S Ki = 0.344 nM 386.48 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 Homo sapiens CHEMBL652820 single protein format
CHEMBL72657 OBDepict CH 3 O O O H 3 C N H H O H O H 3 C Ki = 0.35 nM 435.52 COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 Homo sapiens CHEMBL827429 tissue-based format
CHEMBL182998 OBDepict CH 3 O N H O N O O H H 3 C N H O F F N N Ki = 0.36 nM 557.6 COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(c3ccccn3)CC2)C(=O)N1 Homo sapiens CHEMBL827429 tissue-based format
CHEMBL265001 OBDepict CH 3 O N H O O O H H 3 C N H O F F N N Ki = 0.36 nM 556.61 COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)C(C(=O)NCCCN2CCC(c3ccccn3)CC2)C(=O)N1 Homo sapiens CHEMBL652821 single protein format
CHEMBL25554 OBDepict H 3 C O O O CH 3 N H O O Ki = 0.37 nM 345.4 COc1cccc(OC)c1OCCNCC1COc2ccccc2O1 Homo sapiens CHEMBL647665 single protein format
CHEMBL429697 OBDepict CH 3 O N H O N O O H CH 3 N H O F H F H N N Ki = 0.38 nM 583.64 COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 Homo sapiens CHEMBL647047 cell-based format
CHEMBL89965 OBDepict N N F NH O H 3 C N H NH CH 3 O F F Ki = 0.39 nM 525.58 CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C Homo sapiens CHEMBL647052 cell-based format
CHEMBL91405 OBDepict F N NH O CH 3 NH H N H O F F Ki = 0.39 nM 486.54 CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 Homo sapiens CHEMBL652812 cell-based format
CHEMBL243229 OBDepict H 3 C O CH 3 N N N O O N Ki = 0.4 nM 448.57 CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccncc4C3=O)CC2)CC1 Homo sapiens CHEMBL891018 cell-based format
CHEMBL344339 OBDepict CH 3 O O CH 3 HN N O NH O F F N Ki = 0.4 nM 566.65 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL647055 tissue-based format