HOME LIGAND hPROTEOME OTHERS DOCUMENT

P35372 | OPRM_HUMAN | Mu-type opioid receptor (OPRM1)

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
CHEMBL3290767 OBDepict F N N H H O N O N Cl N H 3 C IC50 = -28100.0 nM 403.85 Cn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1Cl Homo sapiens CHEMBL3296312 single protein format
CHEMBL2208351 OBDepict CH 3 N CH 3 N H O O O Ki = 0.0016 nM 522.69 CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc6c(c5)OCO6)cc4)cc3C1(C)CCN2CC1CC1 Homo sapiens CHEMBL2215304 cell-based format
CHEMBL1790045 OBDepict CH N H H HO Ki = 0.003 nM 281.4 C#CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 Homo sapiens CHEMBL858889 cell-based format
CHEMBL2208347 OBDepict HO HN O CH 3 H H 3 C H N Ki = 0.0049 nM 494.68 C[C@H]1[C@H]2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(O)cc5)cc4)cc3[C@]1(C)CCN2CC1CC1 Homo sapiens CHEMBL2215304 cell-based format
CHEMBL2203338 OBDepict OH N H O CH 3 H 3 C N Ki = 0.0056 nM 494.68 CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(O)cc5)cc4)cc3C1(C)CCN2CC1CC1 Homo sapiens CHEMBL2215304 cell-based format
CHEMBL2208349 OBDepict H 3 C N CH 3 N H O HO Ki = 0.0056 nM 494.68 CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5O)cc4)cc3C1(C)CCN2CC1CC1 Homo sapiens CHEMBL2215304 cell-based format
CHEMBL2208350 OBDepict CH 3 O O H 3 C N H O CH 3 CH 3 N Ki = 0.0071 nM 538.73 COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1OC Homo sapiens CHEMBL2215304 cell-based format
CHEMBL326684 OBDepict CH 3 O H N H 3 C CH 3 O O OH Ki = 0.01 nM 329.4 CO[C@@]12CCC(=O)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5 Homo sapiens CHEMBL3762577 single protein format
CHEMBL58362 OBDepict H 3 C O H O O H H 3 C H N CH 3 N H O O CH 3 Ki = 0.01 nM 414.5 CC[C@@H]1CN2CC[C@]3(Nc4cccc(OC)c4C3=O)[C@@H]2C[C@@H]1/C(=COC)C(=O)OC Homo sapiens CHEMBL2399175 single protein format
CHEMBL199832 OBDepict OH H N H O Ki = 0.01 nM 327.47 Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3 Homo sapiens CHEMBL858889 cell-based format
CHEMBL4550234 OBDepict OH H 3 C CH 3 NH 2 N O CH 3 H 3 C H NH O H HN O CH 2 O O NH 2 Ki = 0.0109 nM 589.69 C=C(C(N)=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)c1ccco1 Homo sapiens CHEMBL4409275 cell-based format
CHEMBL4521879 OBDepict O N H N CH 3 H H 3 C H O NH O NH 2 H 2 C CH 3 H 3 C O NH 2 OH Ki = 0.0109 nM 599.73 C=C(C(N)=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)c1ccccc1 Homo sapiens CHEMBL4409275 cell-based format
CHEMBL331883 OBDepict H 3 C N O H H H 3 C N HO H Ki = 0.013 nM 366.51 CCC(=O)N(c1ccccc1)[C@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C Homo sapiens CHEMBL751574 single protein format
CHEMBL464230 OBDepict CH 3 N CH 3 O NH 2 Ki = 0.015 nM 348.49 CC1C2Cc3ccc(C(N)=O)cc3C1(C)CCN2CCc1ccccc1 Homo sapiens CHEMBL1019876 cell-based format
CHEMBL2208358 OBDepict CH 3 O N H O CH 3 H 3 C N Ki = 0.018 nM 508.71 COc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c1 Homo sapiens CHEMBL2215304 cell-based format
CHEMBL12391 OBDepict CH 3 N O H H CH 3 N Ki = 0.02 nM 350.51 CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C Homo sapiens CHEMBL751574 single protein format
CHEMBL2208348 OBDepict OH N H O CH 3 H 3 C N Ki = 0.021 nM 494.68 CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5cccc(O)c5)cc4)cc3C1(C)CCN2CC1CC1 Homo sapiens CHEMBL2215304 cell-based format
CHEMBL290429 OBDepict CH 3 N O O O N H 3 C Ki = 0.024 nM 394.51 CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccc2)CC1 Homo sapiens CHEMBL751574 single protein format
CHEMBL571767 OBDepict CH 3 O N H H H N Ki = 0.026 nM 402.58 COc1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1 Homo sapiens CHEMBL1050689 cell-based format
CHEMBL3759292 OBDepict O N H HN O H N O NH 2 H CH 3 CH 3 HO Ki = 0.031 nM 514.63 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCc1ccccc1 Homo sapiens CHEMBL3762577 single protein format
CHEMBL3758712 OBDepict O NH N H O H N O NH 2 H CH 3 CH 3 HO Ki = 0.042 nM 500.6 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1ccccc1 Homo sapiens CHEMBL3762577 single protein format
CHEMBL4103328 OBDepict CH 3 N H O H O HO Ki = 0.048 nM 377.48 CN1CC[C@]23c4c5ccc(O)c4O[C@H]2CCC[C@@]3(OCc2ccccc2)[C@H]1C5 Homo sapiens CHEMBL4031999 cell-based format
CHEMBL3939227 OBDepict NH 2 O CH 3 H CH 3 H N H O Ki = 0.05 nM 328.46 C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2C[C@H]1CCCO1 Homo sapiens CHEMBL3887250 cell membrane format
CHEMBL409458 OBDepict Cl N H O H H O OH H N OH Ki = 0.05 nM 480.99 O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)cc1 Homo sapiens CHEMBL950282 cell-based format
CHEMBL426084 OBDepict O HO H N OH O NH 2 Ki = 0.052 nM 370.45 NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3 Homo sapiens CHEMBL828894 cell-based format
CHEMBL471243 OBDepict O OH H N OH O H 2 N ClH Ki = 0.052 nM 406.91 Cl.NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3 Homo sapiens CHEMBL955069 cell-based format
CHEMBL2208352 OBDepict CH 3 O H 3 C N H O CH 3 CH 3 N Ki = 0.059 nM 522.73 COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1C Homo sapiens CHEMBL2215304 cell-based format
CHEMBL121403 OBDepict H 3 C N O H H H 3 C N HO H Ki = 0.06 nM 366.51 CCC(=O)N(c1ccccc1)[C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@H]1C Homo sapiens CHEMBL751574 single protein format
CHEMBL438413 OBDepict O N H H H O HO H N OH Ki = 0.06 nM 486.61 O=C(/C=C/Cc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 Homo sapiens CHEMBL950282 cell-based format
CHEMBL500419 OBDepict O O O HO H N ClH Ki = 0.061 nM 498.06 Cl.O=C(COc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3 Homo sapiens CHEMBL1005603 cell-based format
CHEMBL49269 OBDepict OH H H N Ki = 0.062 nM 297.44 Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 Homo sapiens CHEMBL749650 assay format
CHEMBL2347236 OBDepict O NH H 3 C H CH 3 N N Ki = 0.064 nM 479.67 C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5cccnc5)cc4)cc3[C@@]1(C)CCN2CC1CC1 Homo sapiens CHEMBL2353047 cell-based format
CHEMBL2208354 OBDepict CH 3 O N H O CH 3 CH 3 N Ki = 0.064 nM 482.67 COc1ccc2cc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)ccc2c1 Homo sapiens CHEMBL2215304 cell-based format
CHEMBL2347235 OBDepict O NH H 3 C H CH 3 N N Ki = 0.065 nM 479.67 C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccncc5)cc4)cc3[C@@]1(C)CCN2CC1CC1 Homo sapiens CHEMBL2353047 cell-based format
CHEMBL3944046 OBDepict CH 3 O O H O H N CH 3 H O CH 3 Ki = 0.07 nM 515.69 COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1C)C2 Homo sapiens CHEMBL3707592 single protein format
CHEMBL2311157 OBDepict CH 3 N O O O N H H H Ki = 0.07 nM 393.52 CCC(=O)N(c1ccccc1)C1(C(=O)O[11CH3])CCN(CCc2ccccc2)CC1 Homo sapiens CHEMBL864530 single protein format
CHEMBL495057 OBDepict O N H N H H O HO H N OH Ki = 0.07 nM 497.6 O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cnc2ccccc2c1 Homo sapiens CHEMBL1006330 cell-based format
CHEMBL511645 OBDepict H 2 N O HO OH H N H HO Ki = 0.072 nM 386.49 NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CC[C@@H](O)C3 Homo sapiens CHEMBL955069 cell-based format
CHEMBL104042 OBDepict OH O H H N Ki = 0.08 nM 299.41 Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 Homo sapiens CHEMBL1038966 cell-based format
CHEMBL3911769 OBDepict H 3 C O O H O H N H 3 C H CH 3 O Ki = 0.08 nM 511.66 COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc3ccccc13)C2 Homo sapiens CHEMBL3707592 single protein format
CHEMBL568757 OBDepict H N H N H Ki = 0.08 nM 372.56 c1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1 Homo sapiens CHEMBL1050689 cell-based format
CHEMBL4114285 OBDepict H 2 N O H H N CH 3 H Ki = 0.083 nM 338.5 C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C(N)=O)cc13 Homo sapiens CHEMBL3887250 cell membrane format
CHEMBL249985 OBDepict CH 3 O N H O CH 3 H H 3 C N Ki = 0.084 nM 508.71 COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CCN(CC5CC5)C(C4)[C@@H]3C)cc2)cc1 Homo sapiens CHEMBL941712 cell-based format
CHEMBL2208356 OBDepict CH 3 O N H O CH 3 H 3 C N Ki = 0.084 nM 508.71 COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1 Homo sapiens CHEMBL2215304 cell-based format
CHEMBL3086305 OBDepict CH 3 N H O N S H H N OH Ki = 0.085 nM 409.56 CC(=O)Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2 Homo sapiens CHEMBL3090463 cell-based format
CHEMBL609147 OBDepict H 3 C O N N O H 3 C Ki = 0.089 nM 380.53 CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2ccccc2)CC1 Homo sapiens CHEMBL751574 single protein format
CHEMBL3948892 OBDepict H 2 C H H N HO O H 2 N Ki = 0.097 nM 366.51 C=C1CC[C@H]2[C@H]3Cc4ccc(C(N)=O)c(O)c4[C@@]2(CCN3CC2CCC2)C1 Homo sapiens CHEMBL3887250 cell membrane format
CHEMBL3954177 OBDepict O H H N HO O H 2 N Ki = 0.097 nM 368.48 NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1CCC(=O)C3 Homo sapiens CHEMBL3887250 cell membrane format
CHEMBL4114055 OBDepict NH 2 O H N Ki = 0.098 nM 338.5 NC(=O)c1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3 Homo sapiens CHEMBL3887250 cell membrane format
CHEMBL1852788 OBDepict Cl N N H O H H O OH H N OH Ki = 0.1 nM 481.98 O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccnc(Cl)c1 Homo sapiens CHEMBL2184596 cell-based format
CHEMBL1957843 OBDepict CH 3 H H N HN S O O H 3 C OH Ki = 0.1 nM 426.58 CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3Cc4ccccc4C3O)C[C@H]21 Homo sapiens CHEMBL1958666 single protein format
CHEMBL1824509 OBDepict Cl N N H O H H O OH H N OH ClH Ki = 0.1 nM 518.44 Cl.O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccnc(Cl)c1 Homo sapiens CHEMBL1828461 cell-based format
CHEMBL521854 OBDepict O N H N H H O HO H N OH Ki = 0.1 nM 497.6 O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2cn1 Homo sapiens CHEMBL1006330 cell-based format
CHEMBL3952829 OBDepict CH 3 O O H O H N CH 3 H H 3 C O CH 3 Ki = 0.1 nM 475.63 COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1C)C2 Homo sapiens CHEMBL3707592 single protein format
CHEMBL4108288 OBDepict NH 2 O H N Ki = 0.1 nM 324.47 NC(=O)c1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CC1)CC3 Homo sapiens CHEMBL3887250 cell membrane format
CHEMBL4110274 OBDepict OH CH 3 CH 3 H N H 3 C H Ki = 0.1 nM 285.43 CC1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2[C@H](C)C1CC1 Homo sapiens CHEMBL3887250 cell membrane format
CHEMBL3291216 OBDepict F O H H O HO CH 3 H N HO CH 3 Ki = 0.1 nM 505.63 CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(OCCF)C=C[C@@]3(C[C@@H]2[C@@](C)(O)CCc2ccccc2)[C@H]1C5 Homo sapiens CHEMBL3293115 cell-based format
CHEMBL272215 OBDepict O N H H Cl H O Cl HO H N OH Ki = 0.1 nM 515.44 O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL950282 cell-based format
CHEMBL3309518 OBDepict O N H O HO H N OH Ki = 0.11 nM 490.64 O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1CC1CCCCC1 Homo sapiens CHEMBL3361831 cell-based format
CHEMBL364625 OBDepict CH 3 O O N HO F F F Ki = 0.11 nM 497.56 COC(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL839748 single protein format
CHEMBL421665 OBDepict H 3 C N CH 3 O N HO Cl F F F Ki = 0.11 nM 545.05 CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL839748 single protein format
CHEMBL3958318 OBDepict CH 3 O N H H CH 3 CH 3 HO Ki = 0.11 nM 275.39 COCCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C Homo sapiens CHEMBL3887250 cell membrane format
CHEMBL4108846 OBDepict H 2 C OH H N HO O H 2 N Ki = 0.11 nM 382.5 C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(N)=O)c(O)c4[C@@]2(CCN3CC2CCC2)C1 Homo sapiens CHEMBL3887250 cell membrane format
CHEMBL494854 OBDepict O N H N H H O HO H N OH Ki = 0.11 nM 497.6 O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc2ccccc2n1 Homo sapiens CHEMBL1006330 cell-based format
CHEMBL3408737 OBDepict NH 2 HN NH N H H N H O O H NH 2 H O N CH 3 H 3 C O H 2 N OH Ki = 0.11 nM 594.72 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(N)=O)C1=O Homo sapiens CHEMBL3810903 cell-based format
CHEMBL397035 OBDepict O N H O N Ki = 0.11 nM 416.57 O=C(Nc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3 Homo sapiens CHEMBL887388 cell-based format
CHEMBL120758 OBDepict OH H 3 C H 3 C NH 2 H N O H NH O H O H 2 N Ki = 0.12 nM 452.56 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O Homo sapiens CHEMBL3239389 single protein format
CHEMBL3911427 OBDepict CH 3 O N H H CH 3 CH 3 O NH 2 Ki = 0.12 nM 302.42 COCCN1CC[C@@]2(C)c3cc(C(N)=O)ccc3C[C@@H]1[C@@H]2C Homo sapiens CHEMBL3887250 cell membrane format
CHEMBL226217 OBDepict OH H H N N S NH 2 Ki = 0.12 nM 367.52 Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2 Homo sapiens CHEMBL904883 cell membrane format
CHEMBL242048 OBDepict O N H O N Ki = 0.12 nM 430.59 O=C(Nc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3 Homo sapiens CHEMBL887388 cell-based format
CHEMBL3983967 OBDepict NH 2 O HO H H N Ki = 0.12 nM 354.49 NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 Homo sapiens CHEMBL3887250 cell membrane format
CHEMBL2208363 OBDepict CH 3 O CH 3 N H O CH 3 H 3 C N Ki = 0.12 nM 536.76 CC(C)Oc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)C2(C)CCN(CC4CC4)C(C3)C2C)cc1 Homo sapiens CHEMBL2215304 cell-based format
CHEMBL412050 OBDepict O N H H H O HO H N OH Ki = 0.12 nM 474.6 O=C(CCc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 Homo sapiens CHEMBL950282 cell-based format
CHEMBL2208359 OBDepict CH 3 O N H O CH 3 H 3 C N Ki = 0.12 nM 508.71 COc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)C2(C)CCN(CC4CC4)C(C3)C2C)cc1 Homo sapiens CHEMBL2215304 cell-based format
CHEMBL410526 OBDepict CH 3 O N H O H H O HO H N OH Ki = 0.12 nM 476.57 COc1cccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1 Homo sapiens CHEMBL950282 cell-based format
CHEMBL523382 OBDepict O N H N H H O HO H N OH Ki = 0.12 nM 497.6 O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cnc2ccccc2c1 Homo sapiens CHEMBL1006330 cell-based format
CHEMBL236662 OBDepict O N H H 2 N H H 3 C CH 3 OH N O N CH 3 H Ki = 0.125 nM 476.62 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O Homo sapiens CHEMBL898721 single protein format
CHEMBL592 OBDepict OH H H N CH 3 IC50 = 0.13 nM 257.38 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 Homo sapiens CHEMBL753178 cell-based format
CHEMBL410122 OBDepict OH N H O H H O OH H N OH Ki = 0.13 nM 462.55 O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc(O)c1 Homo sapiens CHEMBL950282 cell-based format
CHEMBL4114524 OBDepict H 2 N O HO H H N H HO Ki = 0.13 nM 370.49 NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1CC[C@@H](O)C3 Homo sapiens CHEMBL3887250 cell membrane format
CHEMBL273105 OBDepict CH 3 O N H O H H O HO H N OH Ki = 0.13 nM 490.6 COc1cccc(CC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1 Homo sapiens CHEMBL950282 cell-based format
CHEMBL196960 OBDepict H 3 C O N N O F H 3 C S Ki = 0.13 nM 403.55 COCC1(N(C(=O)C(C)[18F])c2ccccc2)CCN(CCc2cccs2)CC1 Homo sapiens CHEMBL864530 single protein format
CHEMBL200456 OBDepict F O O N N O CH 3 Ki = 0.13 nM 411.51 CCC(=O)N(c1ccccc1)C1(C(=O)OC[18F])CCN(CCc2ccccc2)CC1 Homo sapiens CHEMBL864530 single protein format
CHEMBL370029 OBDepict O OH H N HO O H 2 N Ki = 0.13 nM 384.48 NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CCC(=O)C3 Homo sapiens CHEMBL828894 cell-based format
CHEMBL3895359 OBDepict O OH H N HO CH 3 H O NH 2 Ki = 0.14 nM 384.48 C[C@@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13 Homo sapiens CHEMBL3887250 cell membrane format
CHEMBL476600 OBDepict O H O O H N OH O N Ki = 0.14 nM 446.5 O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccn1 Homo sapiens CHEMBL993513 cell-based format
CHEMBL1774946 OBDepict CH 3 O H N OH Ki = 0.14 nM 341.5 CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(O)cc13 Homo sapiens CHEMBL1776827 cell-based format
CHEMBL63309 OBDepict CH 3 NH O N Ki = 0.14 nM 436.6 CNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1 Homo sapiens CHEMBL756359 single protein format
CHEMBL3086308 OBDepict CH 3 N H N S H H N OH BrH Ki = 0.14 nM 462.46 Br.CNc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2 Homo sapiens CHEMBL3090463 cell-based format
CHEMBL28198 OBDepict CH 3 N O O O H CH 3 N H 3 C Ki = 0.14 nM 408.54 CCC(=O)N(c1ccccc1)[C@@]1(C(=O)OC)CCN(CCc2ccccc2)C[C@H]1C Homo sapiens CHEMBL753392 cell-based format
CHEMBL472937 OBDepict O N H N H H O HO H N OH Ki = 0.14 nM 447.54 O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccnc1 Homo sapiens CHEMBL1006330 cell-based format
CHEMBL2113304 OBDepict CH 3 O H H O N H H N O OH H 3 C CH 3 Ki = 0.14 nM 500.64 CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 Homo sapiens CHEMBL896952 single protein format
CHEMBL3086757 OBDepict O H O O H N HO O N ClH Ki = 0.14 nM 482.96 Cl.O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccn1 Homo sapiens CHEMBL3089529 cell-based format
CHEMBL1782140 OBDepict H 2 N NH HN N H H N H O O H H 2 N H O N H 3 C CH 3 O NH 2 HO Ki = 0.15 nM 580.69 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O Homo sapiens CHEMBL4136384 single protein format
CHEMBL3667197 OBDepict O HO H N HO H 3 C N H O N N H Ki = 0.15 nM 500.6 CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cn[nH]c4)cc2)c(O)c13 Homo sapiens CHEMBL3705859 assay format
CHEMBL300662 OBDepict OH H 3 C H CH 3 N HO H Ki = 0.15 nM 345.53 C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 Homo sapiens CHEMBL899318 cell-based format
CHEMBL3901699 OBDepict CH 3 O O H O H N CH 3 H O Ki = 0.15 nM 487.64 COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COc1ccccc1)C2 Homo sapiens CHEMBL3707592 single protein format
CHEMBL3927136 OBDepict CH 3 H 3 C H H 2 N H O O H O H 3 C H O H N OH Ki = 0.15 nM 510.68 CC[C@H](C)[C@H](N)C(=O)OC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 Homo sapiens CHEMBL3887789 assay format
CHEMBL2113666 OBDepict O NH H N H 3 C H O Cl O Ki = 0.15 nM 448.95 CN1CC[C@]23c4c5cccc4O[C@H]2C(=O)CC[C@@]3(NC(=O)/C=C/c2ccccc2Cl)[C@H]1C5 Homo sapiens CHEMBL854558 cell-based format
CHEMBL514769 OBDepict O N H N H H O HO H N OH Ki = 0.15 nM 447.54 O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccnc1 Homo sapiens CHEMBL1006330 cell-based format